⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7353411 | 0.74 | — | — | |
| SCHEMBL9464929 | 0.69 | NOS1 (0.38) | — | |
| SCHEMBL11582427 | 0.61 | — | — | |
| SCHEMBL541185 | 0.61 | NOS1 (0.32) | — | |
| SCHEMBL4729301 | 0.61 | — | — | |
| SCHEMBL8427375 | 0.59 | CYP2A6 (0.31) | — | |
| SCHEMBL1824256 | 0.59 | NFKB1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28704502 | 0.58 | NFKB1 (0.32) | — | |
| SCHEMBL4296374 | 0.58 | — | — | |
| SCHEMBL5967475 | 0.56 | SMPD3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050043313-A1 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2005-02-24 | — | — | US | disclosed |