⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4964283 | 0.81 | THRB (0.38) | — | |
| SCHEMBL24036625 | 0.78 | ALOX15 (0.33) | — | |
| SCHEMBL15198679 | 0.78 | ALOX15 (0.33) | — | |
| SCHEMBL15618890 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL25490665 | 0.77 | ANPEP (0.30) | — | |
| SCHEMBL127172 | 0.76 | — | — | |
| SCHEMBL13306967 | 0.76 | — | — | |
| SCHEMBL14402774 | 0.75 | ANPEP (0.32) | — | |
| SCHEMBL24157606 | 0.74 | — | — | |
| SCHEMBL17425076 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014100695-A1 | PRMT5 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014086723-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2014-06-12 | — | — | WO | disclosed |
| EP-2032141-B1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME (US) | 2012-10-31 | — | — | EP | disclosed |
| EP-1054004-B1 | NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2008-07-16 | — | — | EP | disclosed |