⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21734001 | 0.92 | NOS1 (0.32) | — | |
| SCHEMBL21733602 | 0.84 | NOS1 (0.31) | — | |
| SCHEMBL24854886 | 0.82 | — | — | |
| SCHEMBL24089313 | 0.78 | — | — | |
| SCHEMBL17030759 | 0.77 | IDO1 (0.41) | — | |
| SCHEMBL20850536 | 0.77 | MAPT (0.36) | — | |
| SCHEMBL21938210 | 0.76 | IDO1 (0.38) | — | |
| SCHEMBL20970306 | 0.74 | — | — | |
| SCHEMBL25724221 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL21733971 | 0.72 | NOS1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11760744-B2 | Fused ring compounds | GENENTECH, INC. (US) | 2023-09-19 | — | — | US | disclosed |
| US-20230002345-A1 | FUSED RING COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-01-05 | — | — | US | disclosed |
| US-10351550-B2 | Substituted quinazoline compounds and methods of use thereof | ARAXES PHARMA LLC (US) | 2019-07-16 | — | — | US | disclosed |
| US-20180194748-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2018-07-12 | — | — | US | disclosed |
| US-20170022184-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2017-01-26 | — | — | US | disclosed |