⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL598853 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL9750993 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL27826092 | 0.63 | — | — | |
| SCHEMBL13536789 | 0.61 | — | — | |
| SCHEMBL13534674 | 0.61 | — | — | |
| SCHEMBL13536822 | 0.59 | — | — | |
| SCHEMBL13536807 | 0.59 | — | — | |
| SCHEMBL910904 | 0.59 | TSHR (0.31) | — | |
| SCHEMBL6429277 | 0.59 | TSHR (0.31) | — | |
| SCHEMBL8913 | 0.58 | — | — |
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 |