⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64658 | 0.88 | CES2 (0.42) | — | |
| SCHEMBL11814206 | 0.78 | CES1 (0.43) | — | |
| SCHEMBL10945377 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL7869473 | 0.69 | CES2 (0.50) | — | |
| SCHEMBL7868775 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL29566710 | 0.68 | — | — | |
| SCHEMBL4216394 | 0.67 | CES2 (0.52) | — | |
| SCHEMBL10078642 | 0.67 | — | — | |
| SCHEMBL1934119 | 0.65 | — | — | |
| Butane SCHEMBL15416671 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020142019-A1 | Cosmetic composition, method of use and method of making | KUHNAU STEVEN C (US) | 2002-10-03 | — | — | US | claimed |
| US-7285284-B2 | Cosmetic composition, method of use and method of making | KUHNAU STEPHEN C | 2007-10-23 | — | — | US | disclosed |
| US-20020142019-A1 | Cosmetic composition, method of use and method of making | KUHNAU STEVEN C (US) | 2002-10-03 | — | — | US | disclosed |