⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7538386 | 0.88 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL7563421 | 0.87 | KDM4E (0.32) | — | |
| SCHEMBL5926466 | 0.86 | CYP2D6 (0.34) | — | |
| SCHEMBL7563345 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL3187552 | 0.84 | — | — | |
| SCHEMBL7119307 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL7124155 | 0.77 | HTR1A (0.46) | — | |
| SCHEMBL7124375 | 0.77 | HTR1A (0.33) | — | |
| SCHEMBL7126591 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL7118025 | 0.77 | HRH3 (0.40) | — |
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-20100029682-A1 | NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME | PIERRE FABRE MEDICAMENT (FR) | 2010-02-04 | — | — | US | claimed |
| US-20100029682-A1 | NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME | PIERRE FABRE MEDICAMENT (FR) | 2010-02-04 | — | — | US | disclosed |