⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3971077 | 0.98 | ADAMTS5 (0.50) | — | |
| SCHEMBL3993279 | 0.97 | KCNA5 (0.48) | — | |
| SCHEMBL5927126 | 0.93 | ITGB1 (0.46) | — | |
| SCHEMBL5926457 | 0.93 | — | — | |
| SCHEMBL3992092 | 0.92 | ALDH1A1 (0.47) | — | |
| SCHEMBL5926669 | 0.91 | — | — | |
| SCHEMBL3979408 | 0.91 | — | — | |
| SCHEMBL5927187 | 0.90 | BCL2L1 (0.45) | — | |
| SCHEMBL5926436 | 0.90 | CCR9 (0.52) | — | |
| SCHEMBL3994539 | 0.90 | — | — |
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-7122580-B2 | Aryl and heteroaryl compounds and methods to modulate coagulation | TRANSTECH PHARMA, INC. (US) | 2006-10-17 | — | — | US | disclosed |
| WO-2004014844-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TRANSTECH PHARMA, INC. (US) | 2004-02-19 | — | — | WO | disclosed |