⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5737656 | 0.83 | — | — | |
| SCHEMBL5738419 | 0.74 | GABRA1 (0.31) | — | |
| SCHEMBL7678078 | 0.74 | — | — | |
| SCHEMBL7716869 | 0.64 | GABRA1 (0.34) | — | |
| SCHEMBL31529674 | 0.64 | TRPA1 (0.34) | — | |
| SCHEMBL17404393 | 0.63 | FFAR1 (0.42) | — | |
| SCHEMBL14790415 | 0.62 | KDM4E (0.33) | — | |
| SCHEMBL5735562 | 0.61 | — | — | |
| SCHEMBL5736582 | 0.61 | SSTR4 (0.32) | — | |
| SCHEMBL5735587 | 0.61 | RARB (0.52) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1366036-B1 | COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI | ALLERGAN INC (US) | 2006-01-11 | — | — | EP | disclosed |
| US-6855512-B2 | Methods for identifying inhibitors of cytochrome P450RAI | ALLERGAN, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-6713647-B2 | Compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN, INC. | 2004-03-30 | — | — | US | disclosed |
| US-20030186947-A1 | Compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN, INC. | 2003-10-02 | — | — | US | disclosed |
| US-6603019-B2 | Phenylacetic or heteroarylacetic acid derivatives, retinoic acid inducible enzyme, used to treat diseases responsive to retinoids | ALLERGAN, INC. | 2003-08-05 | — | — | US | disclosed |
| US-20030078270-A1 | Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN, INC. | 2003-04-24 | — | — | US | disclosed |
| US-6531599-B2 | RAI=retinoic acid inducible; for example, 4-((8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro(2H-1-benzopyran-2,1' -cyclopropane)-6-yl) ethynyl)-2-fluoro-benzoic acid; use treating diseases responsive to retinoids | ALLERGAN SALES, INC. | 2003-03-11 | — | — | US | disclosed |
| US-20020183285-A1 | Compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN, INC. | 2002-12-05 | — | — | US | disclosed |
| US-20020160986-A1 | Compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN, INC. | 2002-10-31 | — | — | US | disclosed |
| US-20020156082-A1 | Compounds having activity as inhibitors of cytochrome P450RAI | ROLR, INC. | 2002-10-24 | — | — | US | disclosed |
| US-20020132796-A1 | Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN, INC. | 2002-09-19 | — | — | US | disclosed |
| US-6387892-B1 | SKIN DISORDERS; ANTIPROLIFERATIVE AGENT | ALLERGAN SALES, INC. | 2002-05-14 | — | — | US | disclosed |
| US-6387951-B1 | ANTIINFLAMMATORY AGENTS; SKIN DISORDERS | ALLERGAN SALES, INC. | 2002-05-14 | — | — | US | disclosed |
| US-6380256-B1 | FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS | ALLERGAN SALES, INC. | 2002-04-30 | — | — | US | disclosed |
| US-6369261-B1 | CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6369225-B1 | ENZYME INHIBITORS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6313107-B1 | ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS | ALLERGAN SALES, INC. | 2001-11-06 | — | — | US | disclosed |
| US-6252090-B1 | Compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN SALES, INC. | 2001-06-26 | — | — | US | disclosed |