⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27277912 | 0.81 | — | — | |
| SCHEMBL8401305 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL11158256 | 0.74 | — | — | |
| SCHEMBL307200 | 0.74 | — | — | |
| SCHEMBL26629794 | 0.68 | PAX8 (0.32) | — | |
| SCHEMBL19861429 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL25985028 | 0.67 | — | — | |
| SCHEMBL20804043 | 0.67 | — | — | |
| SCHEMBL24415184 | 0.65 | KCNH2 (0.37) | — | |
| SCHEMBL27514574 | 0.65 | ARG1 (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 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 |