⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2491086 | 0.79 | ALPL (0.38) | — | |
| SCHEMBL8660213 | 0.75 | CASP1 (0.39) | — | |
| SCHEMBL4471709 | 0.75 | — | — | |
| SCHEMBL8656235 | 0.75 | CASP1 (0.44) | — | |
| SCHEMBL1464442 | 0.75 | — | — | |
| SCHEMBL8658631 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL758183 | 0.73 | — | — | |
| SCHEMBL4457413 | 0.71 | — | — | |
| SCHEMBL230909 | 0.70 | — | — | |
| SCHEMBL11012295 | 0.70 | ALPL (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6313128-B1 | CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE | SANOFI-SYNTHELABO (FR) | 2001-11-06 | — | — | US | disclosed |