⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7912556 | 1.00 | — | — | |
| SCHEMBL12616420 | 0.68 | — | — | |
| SCHEMBL19192647 | 0.65 | AR (0.31) | — | |
| SCHEMBL8519437 | 0.65 | — | — | |
| SCHEMBL30932656 | 0.65 | — | — | |
| SCHEMBL27017740 | 0.64 | AR (0.33) | — | |
| SCHEMBL23856882 | 0.64 | LMNA (0.39) | — | |
| SCHEMBL21340872 | 0.62 | — | — | |
| SCHEMBL19447032 | 0.62 | — | — | |
| SCHEMBL2483576 | 0.62 | — | — |
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-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |