⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27509375 | 0.50 | — | — | |
| SCHEMBL1413229 | 0.42 | GPR35 (0.39) | — | |
| SCHEMBL129408 | 0.40 | — | — | |
| SCHEMBL12703772 | 0.36 | — | — | |
| Methyl Alcohol SCHEMBL21899428 | 0.34 | CYP3A4 (0.50) | — | |
| SCHEMBL2178472 | 0.33 | — | — | |
| Hexamethylbenzene SCHEMBL8521012 | 0.33 | — | — | |
| Methyl Alcohol SCHEMBL29866752 | 0.33 | — | — | |
| SCHEMBL1468768 | 0.33 | — | — | |
| SCHEMBL28371270 | 0.33 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500217-A | MICROBIOCIDE FOR COSMETICS | ZENECA LIMITED (GB) | 1996-03-19 | — | — | US | claimed |
| EP-0498636-B1 | Cosmetic composition | ZENECA LTD (GB) | 1995-09-06 | — | — | EP | claimed |
| WO-1992013520-A1 | COMPOSITION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-08-20 | — | — | WO | claimed |
| EP-0498636-A1 | Cosmetic composition | ZENECA LIMITED (GB) | 1992-08-12 | — | — | EP | claimed |