⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21617977 | 0.79 | CA12 (0.39) | — | |
| SCHEMBL42386 | 0.77 | — | — | |
| SCHEMBL22731081 | 0.75 | DRD2 (0.34) | — | |
| SCHEMBL3934067 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL969221 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL23011341 | 0.74 | — | — | |
| SCHEMBL194005 | 0.74 | — | — | |
| SCHEMBL5035422 | 0.74 | — | — | |
| SCHEMBL16345655 | 0.74 | — | — | |
| SCHEMBL6142485 | 0.74 | — | — |
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 |