⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL4651978 | 0.81 | — | — | |
| SCHEMBL28716470 | 0.79 | — | — | |
| SCHEMBL95982 | 0.79 | TSHR (1.00) | — | |
| SCHEMBL12723973 | 0.78 | TSHR (0.61) | — | |
| E388 SCHEMBL28962323 | 0.76 | LMNA (1.00) | — | |
| Water SCHEMBL11221867 | 0.76 | TSHR (0.93) | — | |
| Selenium SCHEMBL30845448 | 0.76 | TSHR (0.93) | — | |
| E388 SCHEMBL28696 | 0.76 | LMNA (1.00) | — | |
| Ammonia Solution, Strong SCHEMBL8958644 | 0.76 | TSHR (0.93) | — | |
| Hydrochloric Acid SCHEMBL10457214 | 0.76 | TSHR (0.93) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109563431-B | Lubricating oil composition, lubricating method, and transmission | 出光兴产株式会社 | 2022-05-03 | — | — | CN | claimed |
| EP-0701446-A4 | HEMOREGULATORY PEPTIDES | SMITHKLINE BEECHAM CORP (US) | 1997-04-23 | — | — | EP | claimed |
| EP-0701446-A1 | HEMOREGULATORY PEPTIDES | SMITHKLINE BEECHAM CORPORATION (US) | 1996-03-20 | — | — | EP | claimed |
| WO-1994027627-A1 | HEMOREGULATORY PEPTIDES | SMITHKLINE BEECHAM CORPORATION (US) | 1994-12-08 | — | — | WO | claimed |
| JP-63179890-A | — | — | None | — | — | JP | disclosed |
| CN-109563431-B | Lubricating oil composition, lubricating method, and transmission | 出光兴产株式会社 | 2022-05-03 | — | — | CN | disclosed |
| CN-108779410-B | Lubricating oil composition, lubricating method, and transmission | 出光兴产株式会社 | 2022-03-01 | — | — | CN | disclosed |
| WO-2014121327-A1 | RADICAL ORBITAL SWITCHING | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 2014-08-14 | — | — | WO | disclosed |
| EP-0701446-A4 | HEMOREGULATORY PEPTIDES | SMITHKLINE BEECHAM CORP (US) | 1997-04-23 | — | — | EP | disclosed |
| EP-0701446-A1 | HEMOREGULATORY PEPTIDES | SMITHKLINE BEECHAM CORPORATION (US) | 1996-03-20 | — | — | EP | disclosed |
| US-5459236-A | Hypertensive agents | FERRING AB (SE) | 1995-10-17 | — | — | US | disclosed |
| WO-1994027627-A1 | HEMOREGULATORY PEPTIDES | SMITHKLINE BEECHAM CORPORATION (US) | 1994-12-08 | — | — | WO | disclosed |
| JP-S63179890-A | PRODUCTION OF 4-ENE-3-OXO STEROIDS HAVING 2-CARBOXYETHYLSULFINYL GROUP AT 6-POSITION | ROOTO SEIYAKU KK | 1988-07-23 | — | — | JP | disclosed |
| US-4017467-A | POLYTHIOL | PHILLIPS PETROLEUM COMPANY (US) | 1977-04-12 | — | — | US | disclosed |