Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Octane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | FAAH | O00519 | 2/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Octane SCHEMBL8478071 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Nonane SCHEMBL10614203 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Tetradecane SCHEMBL272077 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Dodecane SCHEMBL1939550 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Decane SCHEMBL13275986 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Hexadecane SCHEMBL2541310 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Decane SCHEMBL13586006 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Heptane SCHEMBL8024410 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Sulfuric Acid SCHEMBL1484174 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Decane SCHEMBL5501232 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024064127-A1 | TUNGSTEN CMP COMPOSITION INCLUDING A SULFUR CONTAINING ANIONIC SURFACTANT | CMC MATERIALS LLC (US) | 2024-03-28 | — | — | WO | claimed |
| US-20240101865-A1 | TUNGSTEN CMP COMPOSITION INCLUDING A SULFUR CONTAINING ANIONIC SURFACTANT | CMC MATERIALS LLC | 2024-03-28 | — | — | US | claimed |
| CN-116574050-A | Method for producing structure-directing agents | 庄信万丰股份有限公司 | 2023-08-11 | — | — | CN | claimed |
| CN-113816994-B | Synthesis method of (1, 1-dicyano-4-oxy) -hexyl-3-oxoindole diethyl phosphinate and derivatives thereof | 南开大学 | 2022-05-27 | — | — | CN | claimed |
| CN-113816994-A | Synthesis method of (2, 2-dicyano-5-oxy) -hexyl-3-oxoindole phosphonite diethyl ester and derivatives thereof | 南开大学 | 2021-12-21 | — | — | CN | claimed |
| CN-113816993-A | Synthesis method of beta-cyanophosphonate derivative | 南开大学 | 2021-12-21 | — | — | CN | claimed |
| EP-2475677-B1 | PROCESSES FOR PRODUCING SILK DOPE | COMMW SCIENT IND RES ORG (AU) | 2018-08-01 | — | — | EP | claimed |
| CN-104600353-A | Anion-cation double intercalated battery | MICROVAST POWER SYSTEMS CO LTD | 2015-05-06 | — | — | CN | claimed |
| WO-2024064127-A1 | TUNGSTEN CMP COMPOSITION INCLUDING A SULFUR CONTAINING ANIONIC SURFACTANT | CMC MATERIALS LLC (US) | 2024-03-28 | — | — | WO | disclosed |
| US-20240101865-A1 | TUNGSTEN CMP COMPOSITION INCLUDING A SULFUR CONTAINING ANIONIC SURFACTANT | CMC MATERIALS LLC | 2024-03-28 | — | — | US | disclosed |
| CN-116574050-A | Method for producing structure-directing agents | 庄信万丰股份有限公司 | 2023-08-11 | — | — | CN | disclosed |
| CN-113045511-B | Gemini dication Bronsted acid ionic liquid containing sulfonyl ring and preparation method thereof | 华中科技大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-113816993-B | Synthesis method of beta-cyanophosphonate derivative | 南开大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-113816994-B | Synthesis method of (1, 1-dicyano-4-oxy) -hexyl-3-oxoindole diethyl phosphinate and derivatives thereof | 南开大学 | 2022-05-27 | — | — | CN | disclosed |
| EP-0800500-A1 | A PROCESS FOR PREPARING 5-CHLORO-2,3-DIHYDRO-1H-INDEN-1-ONE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-10-15 | — | — | EP | disclosed |
| EP-0739207-A1 | ENTERAL FORMULA WITH RIBO-NUCLEOTIDES | ABBOTT LABORATORIES (US) | 1996-10-30 | — | — | EP | disclosed |
| WO-1996020151-A1 | A PROCESS FOR PREPARING 5-CHLORO-2,3-DIHYDRO-1H-INDEN-1-ONE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-07-04 | — | — | WO | disclosed |
| EP-0705323-A1 | METHOD FOR OBTAINING IMPROVED-PURITY FAT DERIVATIVES FROM AQUEOUS EMULSIONS OR DISPERSIONS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995018618-A2 | ENTERAL FORMULA WITH RIBO-NUCLEOTIDES | ABBOTT LAB (US) | 1995-07-13 | — | — | WO | disclosed |
| WO-1995000610-A1 | METHOD FOR OBTAINING IMPROVED-PURITY FAT DERIVATIVES FROM AQUEOUS EMULSIONS OR DISPERSIONS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1995-01-05 | — | — | WO | disclosed |