⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13878222 | 0.84 | — | — | |
| SCHEMBL17793648 | 0.80 | — | — | |
| SCHEMBL7308704 | 0.79 | — | — | |
| SCHEMBL9750951 | 0.73 | — | — | |
| SCHEMBL8089945 | 0.69 | — | — | |
| SCHEMBL5316084 | 0.68 | — | — | |
| SCHEMBL9005306 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL14690014 | 0.65 | — | — | |
| SCHEMBL1284741 | 0.60 | — | — | |
| SCHEMBL19285414 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024532-B2 | TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES | BASF Aktiengesellschaft (DE) | 1984-08-15 | — | — | EP | claimed |
| CN-117529365-A | Epoxidation catalyst system and process for preparing epoxide | 科思创德国股份有限公司 | 2024-02-06 | — | — | CN | disclosed |
| EP-0284005-B1 | METHOD OF PRODUCTION OF POLYOLEFINS | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |
| US-4981930-A | POLYMERIZATION CATALYSTS | IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) | 1991-01-01 | — | — | US | disclosed |
| EP-0284005-A2 | Method of production of polyolefins | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1988-09-28 | — | — | EP | disclosed |