⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18666684 | 0.73 | — | — | |
| SCHEMBL18723239 | 0.72 | — | — | |
| SCHEMBL4820971 | 0.69 | — | — | |
| SCHEMBL1515206 | 0.69 | — | — | |
| SCHEMBL1760662 | 0.69 | — | — | |
| SCHEMBL21706412 | 0.69 | — | — | |
| SCHEMBL25467478 | 0.67 | — | — | |
| SCHEMBL2999000 | 0.67 | — | — | |
| SCHEMBL800803 | 0.67 | — | — | |
| SCHEMBL2904698 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9663522-B2 | 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2017-05-30 | — | — | US | disclosed |
| EP-0888270-B1 | DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL CO (JP) | 2002-04-17 | — | — | EP | disclosed |
| US-6140274-A | Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-10-31 | — | — | US | disclosed |