⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861666 | 0.82 | — | — | |
| SCHEMBL11740817 | 0.81 | — | — | |
| SCHEMBL20609970 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL11674268 | 0.78 | — | — | |
| SCHEMBL6240960 | 0.76 | — | — | |
| SCHEMBL10286941 | 0.73 | — | — | |
| SCHEMBL12515790 | 0.73 | — | — | |
| SCHEMBL11675081 | 0.73 | TSHR (0.45) | — | |
| SCHEMBL681665 | 0.72 | — | — | |
| SCHEMBL56625 | 0.72 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0380052-B1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL CO (JP) | 1994-04-13 | — | — | EP | claimed |
| US-5138109-A | Alkylation in presence of liquid catalyst containing aluminum chloride and alkylbenzene | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1992-08-11 | — | — | US | claimed |
| EP-0380052-A1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-08-01 | — | — | EP | claimed |
| US-3998896-A | PRODUCTION OF MONOCHLORO-SUBSTITUTED SATURATED COMPOUNDS | UOP INC. (US) | 1976-12-21 | — | — | US | claimed |
| JP-4095033-A | — | — | None | — | — | JP | disclosed |
| EP-0380052-B1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL CO (JP) | 1994-04-13 | — | — | EP | disclosed |
| US-5138109-A | Alkylation in presence of liquid catalyst containing aluminum chloride and alkylbenzene | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| JP-H0495033-A | PRODUCTION OF 2,3-DIMETHYLBUTANES | SUMITOMO CHEM CO LTD | 1992-03-27 | — | — | JP | disclosed |
| EP-0380052-A1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-08-01 | — | — | EP | disclosed |
| US-4250247-A | COMPRISING AN ACID-FORMING COMPOUND AND A COMPOUND HAVING AS AN ACID-CLEAVABLE GROUP AN N-ACYLIMINOCARBONATE; RELIEF IMAGES; OFFSET PRINTING | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-02-10 | — | — | US | disclosed |
| US-4046819-A | Alkylation of alkyl, cycloalkyl and aralkyl halides | UOP INC. (US) | 1977-09-06 | — | — | US | disclosed |
| US-3998896-A | PRODUCTION OF MONOCHLORO-SUBSTITUTED SATURATED COMPOUNDS | UOP INC. (US) | 1976-12-21 | — | — | US | disclosed |