⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16860640 | 0.80 | — | — | |
| SCHEMBL28553502 | 0.70 | — | — | |
| SCHEMBL21719868 | 0.67 | — | — | |
| SCHEMBL21317632 | 0.67 | — | — | |
| SCHEMBL16309557 | 0.67 | — | — | |
| SCHEMBL21719863 | 0.67 | GABRA1 (0.32) | — | |
| SCHEMBL20843904 | 0.67 | — | — | |
| SCHEMBL19503374 | 0.67 | — | — | |
| SCHEMBL20843915 | 0.67 | — | — | |
| SCHEMBL29957618 | 0.65 | ENPP2 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019059161-A1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2019-03-28 | — | — | WO | disclosed |
| CN-103261170-B | Fused heterocyclic compounds and their use for pest control | 住友化学株式会社 | 2016-08-24 | — | — | CN | disclosed |
| US-20150216863-A1 | SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | UNIV VANDERBILT (US) | 2015-08-06 | — | — | US | disclosed |
| US-20150216863-A1 | SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | UNIV VANDERBILT (US) | 2015-08-06 | — | — | US | disclosed |
| US-9029366-B2 | Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors | VANDERBILT UNIVERSITY (US) | 2015-05-12 | — | — | US | disclosed |
| US-9029366-B2 | Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors | VANDERBILT UNIVERSITY (US) | 2015-05-12 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |