⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6407782 | 0.89 | — | — | |
| SCHEMBL6409305 | 0.86 | — | — | |
| SCHEMBL6406322 | 0.85 | CA2 (0.31) | — | |
| SCHEMBL6410825 | 0.84 | — | — | |
| SCHEMBL6407367 | 0.79 | — | — | |
| SCHEMBL6410834 | 0.78 | HTR1A (0.30) | — | |
| SCHEMBL6406537 | 0.78 | — | — | |
| SCHEMBL6413314 | 0.77 | ERBB2 (0.31) | — | |
| SCHEMBL6409699 | 0.74 | — | — | |
| SCHEMBL6783469 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020169193-A1 | Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence | BOEHRINGER INGELHEIM PHARMA KG | 2002-11-14 | — | — | US | disclosed |