⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL1420935 | 0.83 | — | — | |
| Butane SCHEMBL583590 | 0.80 | — | — | |
| Ethyl Chloride SCHEMBL1818082 | 0.80 | — | — | |
| Alcohol SCHEMBL9644499 | 0.78 | — | — | |
| Chloromethane SCHEMBL1814391 | 0.75 | — | — | |
| Ethane SCHEMBL108080 | 0.75 | — | — | |
| Hexane SCHEMBL4682339 | 0.75 | TSHR (0.46) | — | |
| Pentane SCHEMBL583306 | 0.75 | — | — | |
| SCHEMBL102156 | 0.75 | — | — | |
| Formic Acid SCHEMBL28829530 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3645521-A1 | HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS | Recordati Industria Chimica E Farmaceutica SPA (IT) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019002571-A1 | HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) | 2019-01-03 | — | — | WO | disclosed |
| WO-2008099019-A1 | 6-HYDROXY-DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-08-21 | — | — | WO | disclosed |