⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18326997 | 1.00 | — | — | |
| SCHEMBL5177494 | 1.00 | — | — | |
| SCHEMBL2585539 | 0.91 | TP53 (0.32) | — | |
| SCHEMBL2585537 | 0.91 | TP53 (0.32) | — | |
| SCHEMBL709405 | 0.81 | — | — | |
| SCHEMBL14435604 | 0.80 | — | — | |
| SCHEMBL18168769 | 0.78 | TP53 (0.47) | — | |
| SCHEMBL6649754 | 0.78 | TP53 (0.47) | — | |
| SCHEMBL12427680 | 0.78 | TP53 (0.47) | — | |
| SCHEMBL6649752 | 0.78 | TP53 (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-1174414-B1 | PROCESS FOR PRODUCING HYDROGENATED ESTER | SHOWA DENKO KK (JP) | 2007-06-06 | — | — | EP | 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-20080003288-A1 | Responsive microgel and methods related thereto | SUPRATEK PHARMA INC. (CA) | 2008-01-03 | — | — | US | disclosed |
| US-7204997-B2 | Responsive microgel and methods related thereto | SUPRATEK PHARMA INC. (CA) | 2007-04-17 | — | — | US | disclosed |
| US-20030152623-A1 | Responsive microgel and methods related thereto | SUPRATEK PHARMA INC. (CA) | 2003-08-14 | — | — | US | disclosed |
| EP-0681582-A1 | PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-15 | — | — | EP | disclosed |
| US-4131743-A | Process for preparing unsaturated diesters | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1978-12-26 | — | — | US | disclosed |
| US-3912739-A | Aza-hydroxy-benzanthrone | MONTEDISON SPA | 1975-10-14 | — | — | US | disclosed |