⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4365532 | 0.83 | MEN1 (0.33) | — | |
| SCHEMBL4362580 | 0.78 | ERN1 (0.31) | — | |
| SCHEMBL4364869 | 0.77 | KCNH2 (0.30) | — | |
| SCHEMBL4357571 | 0.77 | PARP10 (0.33) | — | |
| SCHEMBL4354175 | 0.77 | TEAD4 (0.30) | — | |
| SCHEMBL4359716 | 0.77 | LTA4H (0.31) | — | |
| SCHEMBL4360013 | 0.76 | XDH (0.33) | — | |
| SCHEMBL4362634 | 0.76 | DHODH (0.31) | — | |
| SCHEMBL4361586 | 0.75 | TNK2 (0.31) | — | |
| SCHEMBL2460741 | 0.75 | SMPD1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481733-B2 | Substituted imidazopyr- and imidazotri-azines | OSI Pharmaceuticals, LLC (US) | 2013-07-09 | — | — | US | disclosed |
| EP-2283020-B1 | SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES | OSI PHARM INC (US) | 2012-10-31 | — | — | EP | disclosed |
| US-20090286768-A1 | SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES | OSI PHARMACEUTICALS, INC. (US) | 2009-11-19 | — | — | US | disclosed |