⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7770642 | 0.82 | CA1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL3236985 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL21950788 | 0.78 | — | — | |
| SCHEMBL25689262 | 0.73 | ARG1 (0.34) | — | |
| SCHEMBL7776810 | 0.72 | DNM1 (0.32) | — | |
| SCHEMBL22858912 | 0.71 | — | — | |
| SCHEMBL5071934 | 0.71 | — | — | |
| SCHEMBL24193555 | 0.70 | DNM1 (0.42) | — | |
| SCHEMBL18833154 | 0.70 | CA12 (0.36) | — | |
| SCHEMBL7930524 | 0.70 | ALDH1A1 (0.35) | — |
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-7365209-B2 | Nitrogen heterocycle biaryls for osteoporosis and other diseases | PHARMACOPEIA, INC. (US) | 2008-04-29 | — | — | US | disclosed |
| US-20050222203-A1 | [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion | PHARMACOPEIA, INC. (US) | 2005-10-06 | — | — | US | disclosed |