⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL890877 | 0.80 | — | — | |
| SCHEMBL27763216 | 0.77 | TP53 (0.38) | — | |
| SCHEMBL28074189 | 0.77 | TP53 (0.38) | — | |
| SCHEMBL890928 | 0.70 | — | — | |
| SCHEMBL3293708 | 0.69 | — | — | |
| SCHEMBL14754136 | 0.68 | — | — | |
| SCHEMBL4686073 | 0.68 | — | — | |
| Pyrrole SCHEMBL28167023 | 0.68 | TP53 (0.38) | — | |
| SCHEMBL178555 | 0.68 | — | — | |
| SCHEMBL28102454 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111620865-B | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 苏州信诺维医药科技股份有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-111620864-A | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 苏州信诺维医药科技有限公司 | 2020-09-04 | — | — | CN | disclosed |
| CN-111620865-A | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 苏州信诺维医药科技有限公司 | 2020-09-04 | — | — | CN | disclosed |
| CN-110156772-B | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 苏州信诺维医药科技有限公司 | 2020-08-07 | — | — | CN | disclosed |
| EP-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| US-7361669-B2 | Compositions and method for inhibiting TGF-β | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-04-22 | — | — | US | disclosed |