⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL456144 | 0.72 | — | — | |
| SCHEMBL16954966 | 0.72 | — | — | |
| SCHEMBL2188447 | 0.70 | — | — | |
| SCHEMBL3228593 | 0.70 | — | — | |
| SCHEMBL12815966 | 0.70 | IDO1 (0.31) | — | |
| SCHEMBL439197 | 0.70 | IDO1 (0.31) | — | |
| SCHEMBL16957778 | 0.69 | CA2 (0.37) | — | |
| SCHEMBL12816613 | 0.68 | IDO1 (0.31) | — | |
| SCHEMBL4794389 | 0.68 | — | — | |
| SCHEMBL16959924 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0975573-B1 | TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | ALLERGAN SALES INC (US) | 2002-09-18 | — | — | EP | disclosed |
| US-6235923-B1 | RETINOIDS AND CELL DIFFERENTIATION | ALLERGAN SALES, INC. | 2001-05-22 | — | — | US | disclosed |
| US-6225494-B1 | TREATING SKIN DISORDERS, REDUCED SIDE EFFECTS | ALLERGAN SALES, INC. | 2001-05-01 | — | — | US | disclosed |
| US-6037488-A | COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID | ALLERGAN SALES, INC. (US) | 2000-03-14 | — | — | US | disclosed |
| 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 |