⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7723177 | 0.83 | RARA (0.31) | — | |
| SCHEMBL6553898 | 0.83 | — | — | |
| SCHEMBL6086182 | 0.69 | RARB (0.34) | — | |
| SCHEMBL7773711 | 0.67 | RARA (0.35) | — | |
| SCHEMBL6552904 | 0.67 | RARA (0.33) | — | |
| SCHEMBL6086395 | 0.66 | PDE4B (0.36) | — | |
| SCHEMBL6087831 | 0.66 | HIF1A (0.35) | — | |
| SCHEMBL7730663 | 0.65 | RARA (0.35) | — | |
| SCHEMBL7730046 | 0.65 | RARA (0.31) | — | |
| SCHEMBL18327296 | 0.59 | SLC6A4 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1388534-A2 | 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors | Allergan, Inc. (US) | 2004-02-11 | — | — | EP | disclosed |
| EP-1117628-B1 | 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS | ALLERGAN INC (US) | 2003-11-19 | — | — | EP | disclosed |
| US-6403638-B1 | COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME | ALLERGAN SALES, INC. | 2002-06-11 | — | — | US | disclosed |
| US-6147224-A | 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors | ALLERGAN SALES, INC. (US) | 2000-11-14 | — | — | US | disclosed |