⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8183372 | 1.00 | — | — | |
| SCHEMBL9647720 | 0.85 | KDM1A (0.34) | — | |
| SCHEMBL9647725 | 0.85 | KDM1A (0.34) | — | |
| SCHEMBL2010366 | 0.82 | KDM1A (0.33) | — | |
| SCHEMBL24769957 | 0.81 | — | — | |
| SCHEMBL2689022 | 0.76 | — | — | |
| SCHEMBL14689615 | 0.76 | — | — | |
| SCHEMBL11699074 | 0.76 | — | — | |
| SCHEMBL3216569 | 0.75 | — | — | |
| SCHEMBL471180 | 0.74 | TAAR1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0970036-A1 | ARYL- AND HETEROARYLCYCLOHEXENYL SUBSTITUTED ALKENES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039284-A1 | ARYL- AND HETEROARYLCYCLOHEXENYL SUBSTITUTED ALKENES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1998-09-11 | — | — | WO | disclosed |
| US-5760276-A | TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF RETINOIDS | ALLERGAN (US) | 1998-06-02 | — | — | US | disclosed |