⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24653562 | 0.83 | — | — | |
| SCHEMBL11440328 | 0.79 | — | — | |
| SCHEMBL2088733 | 0.79 | — | — | |
| SCHEMBL15467989 | 0.79 | — | — | |
| SCHEMBL479547 | 0.74 | — | — | |
| SCHEMBL3506514 | 0.74 | — | — | |
| SCHEMBL1776098 | 0.74 | — | — | |
| SCHEMBL8024648 | 0.74 | — | — | |
| SCHEMBL9748835 | 0.73 | IDO1 (0.43) | — | |
| SCHEMBL6476566 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |