⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7044883 | 0.88 | KDM4E (0.30) | — | |
| SCHEMBL7045437 | 0.85 | CNR1 (0.34) | — | |
| SCHEMBL7039920 | 0.85 | F10 (0.31) | — | |
| SCHEMBL7039146 | 0.84 | CNR1 (0.32) | — | |
| SCHEMBL7042358 | 0.78 | LMNA (0.41) | — | |
| SCHEMBL7043464 | 0.74 | CNR1 (0.34) | — | |
| SCHEMBL7042344 | 0.74 | AMY1A (0.36) | — | |
| SCHEMBL7042374 | 0.74 | CNR1 (0.35) | — | |
| SCHEMBL3765374 | 0.73 | NR1I2 (0.38) | — | |
| SCHEMBL7045461 | 0.73 | NR1I2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613786-B2 | Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction | BRISTOL-MYERS SQUIBB COMPANY | 2003-09-02 | — | — | US | disclosed |
| US-20030144333-A1 | Thiophenyl triazol-3-one derivatives as smooth muscle relaxants | HEWAWASAM PIYASENA (US) | 2003-07-31 | — | — | US | disclosed |