⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4927804 | 0.77 | GABRA1 (0.31) | — | |
| SCHEMBL11440325 | 0.75 | — | — | |
| SCHEMBL2088731 | 0.75 | — | — | |
| SCHEMBL15467988 | 0.75 | — | — | |
| SCHEMBL28262466 | 0.72 | — | — | |
| SCHEMBL15559344 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL4655460 | 0.71 | — | — | |
| SCHEMBL19514365 | 0.71 | — | — | |
| SCHEMBL4078236 | 0.71 | — | — | |
| SCHEMBL15057126 | 0.69 | GAA (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0037344-B1 | AMINO-ALCOXY PYRAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | ETABLISSEMENTS NATIVELLE S.A. (FR) | 1984-07-11 | — | — | EP | claimed |
| EP-2196459-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-11-02 | — | — | EP | disclosed |
| WO-2009152027-A1 | 5,7-DIHYDRO-6H-PYRROLO[2,3-D]PYRIMIDIN-6-ONE DERIVATIVES FOR MARK INHIBITION | MERCK & CO., INC. (US) | 2009-12-17 | — | — | WO | disclosed |
| JP-2007084437-A | AMINOALKYLPYRAZOLE DERIVATIVE | DAI ICHI SEIYAKU CO LTD | 2007-04-05 | — | — | JP | disclosed |
| WO-2005061506-A1 | BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | PFIZER PRODUCTS INC. (US) | 2005-07-07 | — | — | WO | disclosed |
| US-4138292-A | ENZYMES OR MICROORGANISMS IN A SULFATED POLYSACCHARIDE GEL | TANABE SEIYAKU CO., LTD. (JP) | 1979-02-06 | — | — | US | disclosed |