⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7870688 | 0.85 | RARB (0.41) | — | |
| SCHEMBL8330971 | 0.74 | MAP3K14 (0.31) | — | |
| SCHEMBL8331567 | 0.73 | MAP3K14 (0.30) | — | |
| SCHEMBL7567313 | 0.71 | RXRA (0.50) | — | |
| SCHEMBL9053853 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL7503006 | 0.69 | RXRA (0.47) | — | |
| SCHEMBL4373634 | 0.68 | LMNA (0.42) | — | |
| SCHEMBL9054289 | 0.68 | MAPT (0.41) | — | |
| SCHEMBL7714819 | 0.67 | RARA (0.39) | — | |
| Hydrochloric Acid SCHEMBL21750681 | 0.67 | MAPT (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0848696-B1 | 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN SALES INC (US) | 2002-08-28 | — | — | EP | disclosed |
| US-20020082419-A1 | 2,4-pentadienoic acid derivatives having retinoid-like biological activity | ALLERGAN SALES, INC. | 2002-06-27 | — | — | US | disclosed |
| US-6114533-A | A COMPOUNDS HAVING A 2,4-PENTADIENOIC ACID OR 2,4-PENTADIENOIC ACID ESTER FUNCTION WHICH IS SUBSTITUTED IN THE 5-POSITION WITH TETRAHYDROQUINOLINYL GROUP | ALLERGAN SALES, INC. (US) | 2000-09-05 | — | — | US | disclosed |
| WO-1999008992-A1 | 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1999-02-25 | — | — | WO | disclosed |
| EP-0848696-A1 | 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Allergan (US) | 1998-06-24 | — | — | EP | disclosed |
| US-5663367-A | REGULATOR OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS | ALLERGAN (US) | 1997-09-02 | — | — | US | disclosed |
| WO-1996039374-A1 | 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1996-12-12 | — | — | WO | disclosed |