⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6783129 | 0.85 | — | — | |
| SCHEMBL6783709 | 0.84 | — | — | |
| SCHEMBL6783469 | 0.73 | — | — | |
| SCHEMBL6787020 | 0.72 | — | — | |
| SCHEMBL6414343 | 0.69 | — | — | |
| SCHEMBL6784046 | 0.68 | — | — | |
| SCHEMBL6410304 | 0.68 | — | — | |
| SCHEMBL6788924 | 0.68 | P2RX7 (0.31) | — | |
| SCHEMBL6783198 | 0.66 | — | — | |
| SCHEMBL6792968 | 0.66 | ALOX5 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6747051-B2 | BLADDER UROGENITAL DISORDERS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-06-08 | — | — | US | disclosed |
| US-20030158420-A1 | m-Amino-phenylimino-imidazolidine derivatives for treaing urinary incontinence | BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) | 2003-08-21 | — | — | US | disclosed |
| US-6602897-B2 | For example, 2-((2-bromo-3-chloro-5-dimethylamino-6-methylphenyl)imino)imid azolidine | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-08-05 | — | — | US | disclosed |
| US-20020161031-A1 | m-amino-phenylimino-imidazolidine derivatives for treating urinary incontinence | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-10-31 | — | — | US | disclosed |