⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20970353 | 0.80 | CHRM2 (0.30) | — | |
| SCHEMBL20850536 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL2492055 | 0.70 | TRPA1 (0.44) | — | |
| SCHEMBL22328040 | 0.69 | — | — | |
| SCHEMBL21734001 | 0.67 | NOS1 (0.32) | — | |
| SCHEMBL17030765 | 0.66 | ADORA2A (0.35) | — | |
| SCHEMBL20132850 | 0.65 | CHEK1 (0.41) | — | |
| SCHEMBL20807053 | 0.64 | RIPK1 (0.39) | — | |
| SCHEMBL22924129 | 0.64 | — | — | |
| SCHEMBL17030769 | 0.64 | ADORA2A (0.37) | — |
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-10822312-B2 | Substituted quinazoline compounds and methods of use | ARAXES PHARMA LLC (US) | 2020-11-03 | — | — | US | disclosed |
| US-20190127336-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE | ARAXES PHARMA, LLC | 2019-05-02 | — | — | US | disclosed |