⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3723886 | 0.97 | — | — | |
| SCHEMBL28293734 | 0.81 | MMP1 (0.48) | — | |
| SCHEMBL320068 | 0.81 | — | — | |
| SCHEMBL17120970 | 0.75 | MMP1 (0.43) | — | |
| SCHEMBL11693309 | 0.74 | — | — | |
| Ethane SCHEMBL6848109 | 0.73 | — | — | |
| SCHEMBL23173031 | 0.73 | EPHX1 (0.52) | — | |
| SCHEMBL43908 | 0.73 | — | — | |
| SCHEMBL27586235 | 0.72 | HDAC3 (0.40) | — | |
| SCHEMBL29202927 | 0.72 | EPHX1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2637636-A1 | LEAVE-ON NONSOLID SKIN CONDITIONING COMPOSITIONS CONTAINING 12-HYDROXYSTEARIC ACID | Unilever PLC (GB) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012061991-A1 | LEAVE-ON NONSOLID SKIN CONDITIONING COMPOSITIONS CONTAINING 12-HYDROXYSTEARIC ACID | UNILEVER PLC (GB) | 2012-05-18 | — | — | WO | disclosed |