⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14066200 | 1.00 | — | — | |
| SCHEMBL11328579 | 1.00 | — | — | |
| SCHEMBL15604533 | 0.90 | — | — | |
| SCHEMBL10259860 | 0.90 | — | — | |
| SCHEMBL11578116 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL11578112 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL7125906 | 0.80 | — | — | |
| SCHEMBL11726447 | 0.80 | — | — | |
| SCHEMBL7125907 | 0.80 | — | — | |
| SCHEMBL11726450 | 0.80 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3993854-A | ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORSHYDROXY-TERMINATED POLYMERS | PHILLIPS PETROLEUM COMPANY (US) | 1976-11-23 | — | — | US | claimed |
| CN-106467464-A | (E) 2 isopropyl 5 methyl 3,5 hexadienoic acid ester compounds and its production method and produce (E) 2 isopropyl 5 methyl 3 using it, 5 hexadienols and the method for (E) 2 isopropyl 5 methyl 3,5 hexadienyl carboxylate | 信越化学工业株式会社 | 2017-03-01 | — | — | CN | disclosed |
| US-4276430-A | FOR TOPICAL APPLICATION AND SYSTEMIC ADMINISTRATION; ESTERS OF DIHYDROXYBENZOIC ACID | THE PROCTER & GAMBLE COMPANY (US) | 1981-06-30 | — | — | US | disclosed |
| US-4098881-A | COMPOSITIONS TO CONTROL THE CHRONIC EFFECTS OF EXPOSURE TO SUNLIGHT COMPRISING CONJUGATED DIENES | THE PROCTER & GAMBLE COMPANY (US) | 1978-07-04 | — | — | US | disclosed |
| US-4044195-A | ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORS2,4-PENTADIEN-1-OL | PHILLIPS PETROLEUM COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-3993854-A | ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORSHYDROXY-TERMINATED POLYMERS | PHILLIPS PETROLEUM COMPANY (US) | 1976-11-23 | — | — | US | disclosed |