⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL177480 | 0.84 | CES2 (0.35) | — | |
| SCHEMBL1277219 | 0.79 | ESR1 (0.36) | — | |
| SCHEMBL1277339 | 0.79 | SELL (0.39) | — | |
| SCHEMBL24861772 | 0.76 | CYP3A4 (0.54) | — | |
| SCHEMBL423469 | 0.74 | ESR1 (0.41) | — | |
| SCHEMBL1277377 | 0.74 | CA3 (0.48) | — | |
| SCHEMBL3716120 | 0.71 | CA12 (0.52) | — | |
| SCHEMBL15057285 | 0.71 | LTA4H (0.42) | — | |
| SCHEMBL26331809 | 0.71 | NR5A1 (0.40) | — | |
| SCHEMBL26331696 | 0.71 | NR5A1 (0.40) | — |
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-20210317140-A1 | Heterocyclic Compounds and Methods of Use | MEDIVATION TECHNOLOGIES, INC. (US) | 2021-10-14 | — | — | US | disclosed |
| US-20160272645-A1 | Heterocyclic Compounds and Methods of Use | MEDIVATION TECHNOLOGIES, INC. (US) | 2016-09-22 | — | — | US | disclosed |
| EP-3057970-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Medivation Technologies, Inc. (US) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015069441-A1 | PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) | MEDIVATION TECHNOLOGIES, INC. (US) | 2015-05-14 | — | — | WO | disclosed |
| WO-2015058084-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. (US) | 2015-04-23 | — | — | WO | disclosed |