⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27480352 | 0.79 | — | — | |
| SCHEMBL1823304 | 0.79 | — | — | |
| SCHEMBL5612785 | 0.71 | RPA1 (0.44) | — | |
| SCHEMBL42036 | 0.70 | — | — | |
| SCHEMBL23457543 | 0.69 | RPA1 (0.42) | — | |
| SCHEMBL29045051 | 0.69 | — | — | |
| SCHEMBL29699374 | 0.67 | GRM5 (0.35) | — | |
| SCHEMBL87533 | 0.66 | — | — | |
| SCHEMBL23457624 | 0.64 | LTA4H (0.50) | — | |
| SCHEMBL17048391 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1981854-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007070826-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |