⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8266614 | 0.80 | — | — | |
| SCHEMBL8347754 | 0.70 | — | — | |
| SCHEMBL35675 | 0.67 | — | — | |
| SCHEMBL8290179 | 0.65 | — | — | |
| SCHEMBL8267051 | 0.65 | — | — | |
| SCHEMBL20865754 | 0.65 | — | — | |
| SCHEMBL8295593 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28745452 | 0.65 | — | — | |
| SCHEMBL10070410 | 0.64 | — | — | |
| Bromide SCHEMBL11506566 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004083174-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |