⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15488865 | 0.68 | DRD2 (0.33) | — | |
| SCHEMBL3401413 | 0.68 | — | — | |
| SCHEMBL1993951 | 0.67 | — | — | |
| SCHEMBL4260946 | 0.67 | APP (0.46) | — | |
| SCHEMBL18133651 | 0.60 | — | — | |
| SCHEMBL7035378 | 0.60 | — | — | |
| SCHEMBL398311 | 0.58 | — | — | |
| SCHEMBL1820701 | 0.58 | — | — | |
| SCHEMBL5713876 | 0.55 | — | — | |
| SCHEMBL7179079 | 0.55 | — | — |
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-0975573-A1 | TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998047854-A1 | TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1998-10-29 | — | — | WO | disclosed |