⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271512 | 0.69 | — | — | |
| SCHEMBL257408 | 0.57 | — | — | |
| SCHEMBL271511 | 0.57 | — | — | |
| SCHEMBL27523143 | 0.54 | — | — | |
| SCHEMBL6871486 | 0.54 | — | — | |
| SCHEMBL13121750 | 0.41 | — | — | |
| SCHEMBL31579419 | 0.41 | — | — | |
| SCHEMBL12252318 | 0.41 | — | — | |
| Boric Acid SCHEMBL21951362 | 0.41 | LMNA (0.80) | — | |
| Boric Acid SCHEMBL7757038 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010129467-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2010-11-11 | — | — | WO | disclosed |
| US-7449479-B2 | Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-11 | — | — | US | disclosed |