⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7975614 | 0.75 | PRKCA (0.36) | — | |
| SCHEMBL3743046 | 0.61 | TDP1 (0.35) | — | |
| SCHEMBL3239526 | 0.56 | ACHE (0.43) | — | |
| SCHEMBL22924626 | 0.53 | TDP1 (0.43) | — | |
| SCHEMBL23934182 | 0.52 | CYP2C9 (0.39) | — | |
| SCHEMBL8430524 | 0.49 | PGR (0.34) | — | |
| SCHEMBL31545074 | 0.49 | CNR2 (0.56) | — | |
| SCHEMBL20430497 | 0.48 | HTR6 (0.47) | — | |
| SCHEMBL5381974 | 0.48 | TLR8 (0.42) | — | |
| SCHEMBL8443175 | 0.48 | ALDH1A1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2001070662-A2 | 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS | ALLERGAN , INC. (US) | 2001-09-27 | — | — | WO | disclosed |