⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2672941 | 0.84 | — | — | |
| SCHEMBL15047344 | 0.84 | — | — | |
| SCHEMBL17931859 | 0.80 | — | — | |
| SCHEMBL13206513 | 0.79 | TYMP (0.37) | — | |
| SCHEMBL16229223 | 0.74 | — | — | |
| SCHEMBL14067220 | 0.72 | LTA4H (0.37) | — | |
| SCHEMBL13256027 | 0.72 | — | — | |
| SCHEMBL22280182 | 0.72 | — | — | |
| SCHEMBL22848395 | 0.72 | — | — | |
| SCHEMBL594290 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3145929-B1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-01-13 | — | — | EP | disclosed |
| WO-2020118194-A1 | NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2020-06-11 | — | — | WO | disclosed |
| US-10457640-B2 | Synthesis of inhibitors of EZH2 | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2019-10-29 | — | — | US | disclosed |
| US-20190233375-A1 | SYNTHESIS OF INHIBITORS OF EZH2 | CONSTELLATION PHARMACEUTICALS, INC. | 2019-08-01 | — | — | US | disclosed |
| WO-2018075598-A1 | SYNTHESIS OF INHIBITORS OF EZH2 | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2018-04-26 | — | — | WO | disclosed |
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| EP-2953681-B1 | NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS | BOEHRINGER INGELHEIM INT (DE) | 2017-03-15 | — | — | EP | disclosed |