⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4847706 | 0.77 | MAOA (0.31) | — | |
| SCHEMBL9006852 | 0.65 | ESR1 (0.34) | — | |
| SCHEMBL14781303 | 0.59 | — | — | |
| SCHEMBL7948821 | 0.59 | CA2 (0.41) | — | |
| SCHEMBL8621919 | 0.55 | — | — | |
| SCHEMBL9538194 | 0.55 | KEAP1 (0.35) | — | |
| SCHEMBL9539715 | 0.54 | HDAC8 (0.35) | — | |
| SCHEMBL9394396 | 0.54 | HDAC8 (0.32) | — | |
| SCHEMBL29752544 | 0.53 | KEAP1 (0.33) | — | |
| SCHEMBL9527807 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7351737-B2 | 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity | ALLERGAN, INC. (US) | 2008-04-01 | — | — | US | disclosed |
| CN-1656088-A | Substituted chroman derivatives having cytochrome P450RAI inhibitory activity | ALLERGAN INC (US) | 2005-08-17 | — | — | CN | disclosed |
| EP-1485368-A1 | SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY | Allergan, Inc. (US) | 2004-12-15 | — | — | EP | disclosed |
| US-20040077721-A1 | Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A | ALLERGAN, INC. | 2004-04-22 | — | — | US | disclosed |
| US-20030207937-A1 | 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity | ALLERGAN, INC. | 2003-11-06 | — | — | US | disclosed |
| WO-2003080594-A1 | SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY | ALLERGAN, INC. (US) | 2003-10-02 | — | — | WO | disclosed |