⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11614207 | 0.73 | — | — | |
| SCHEMBL7858273 | 0.61 | — | — | |
| SCHEMBL29585873 | 0.60 | — | — | |
| SCHEMBL22369883 | 0.57 | HSP90AA1 (0.33) | — | |
| SCHEMBL246118 | 0.56 | HSP90AA1 (0.36) | — | |
| SCHEMBL19385786 | 0.54 | MAOA (0.33) | — | |
| Hydrochloric Acid SCHEMBL667557 | 0.54 | HSP90AA1 (0.35) | — | |
| SCHEMBL4853361 | 0.54 | — | — | |
| SCHEMBL30532216 | 0.53 | — | — | |
| SCHEMBL17824477 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116710453-A | Kinase inhibitors and uses thereof | 璧辰医药技术股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-107405405-B | Novel compositions and methods for treating and/or preventing chronic obstructive pulmonary disease | 波尔多大学 | 2021-05-11 | — | — | CN | disclosed |
| EP-2451802-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY | Pathway Therapeutics, Inc. (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2009066084-A1 | 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-28 | — | — | WO | disclosed |