⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28938374 | 0.83 | CAPN1 (0.39) | — | |
| SCHEMBL29172188 | 0.82 | KMT2A (0.39) | — | |
| SCHEMBL25419098 | 0.80 | — | — | |
| SCHEMBL13460073 | 0.78 | — | — | |
| SCHEMBL28938378 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL6177651 | 0.74 | CYP1A2 (0.47) | — | |
| SCHEMBL13134156 | 0.74 | TGM2 (0.55) | — | |
| SCHEMBL5062623 | 0.73 | PEPD (0.80) | — | |
| SCHEMBL8888530 | 0.72 | PTPN1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL27553709 | 0.71 | PTPN1 (0.55) | — |
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-109069504-B | Aminothiazole compounds and uses thereof | 台湾卫生研究院 | 2022-06-28 | — | — | CN | disclosed |
| US-8410090-B2 | Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes | AICURIS GMBH & CO. KG (DE) | 2013-04-02 | — | — | US | disclosed |
| EP-2519102-A2 | NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS | Development Center For Biotechnology (TW) | 2012-11-07 | — | — | EP | disclosed |
| US-20100144752-A1 | Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-10 | — | — | US | disclosed |