⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7587595 | 0.84 | SIGMAR1 (0.38) | — | |
| SCHEMBL14861864 | 0.81 | DRD3 (0.36) | — | |
| SCHEMBL13271302 | 0.73 | — | — | |
| SCHEMBL6820707 | 0.73 | DRD3 (0.36) | — | |
| SCHEMBL7900045 | 0.73 | HTR2A (0.38) | — | |
| SCHEMBL14001335 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL10368970 | 0.70 | GSK3B (0.41) | — | |
| SCHEMBL10211030 | 0.70 | SIGMAR1 (0.33) | — | |
| SCHEMBL12809343 | 0.68 | — | — | |
| SCHEMBL8702582 | 0.67 | SIGMAR1 (0.37) | — |
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-1499604-A1 | DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS | Allergan, Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| US-6720423-B2 | SKIN RELATED DISEASES; PROMOTE THE EXPRESSION OF OR BIND TO RECEPTORS BELONGING TO THE STEROID OR THYROID RECEPTOR SUPERFAMILY. | ALLERGAN, INC. | 2004-04-13 | — | — | US | disclosed |
| US-20030216570-A1 | Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors | ALLERGAN, INC. | 2003-11-20 | — | — | US | disclosed |
| WO-2003093257-A1 | DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS | ALLERGAN, INC. (US) | 2003-11-13 | — | — | WO | disclosed |