⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL1517463 | 0.91 | — | — | |
| Isobutane SCHEMBL11664435 | 0.91 | — | — | |
| Isobutane SCHEMBL1022735 | 0.89 | — | — | |
| Isobutane SCHEMBL30536981 | 0.89 | — | — | |
| Isobutane SCHEMBL11313074 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL2162423 | 0.89 | — | — | |
| Isobutane SCHEMBL7754023 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL768 | 0.89 | — | — | |
| Isobutane SCHEMBL20490082 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL23699700 | 0.80 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111229201-B | Mo-based catalyst taking scheelite oxide as precursor, and preparation method and application thereof | 天津大学 | 2023-09-15 | — | — | CN | disclosed |
| CN-105567306-B | Simulation moving bed for solid acid alkylating is reacted reacts and the method for catalyst regeneration with regenerating unit and raw material | 中国石油化工股份有限公司 | 2019-01-08 | — | — | CN | disclosed |
| CN-105567305-B | Simulation moving bed for solid acid alkylating is reacted reacts and the method for catalyst regeneration with regenerating unit and raw material | 中国石油化工股份有限公司 | 2019-01-08 | — | — | CN | disclosed |
| CN-105396517-B | A kind of fluidized-bed reaction and regenerating unit and solid acid alkylating process | 中国石油化工股份有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-107941047-A | A kind of heat exchanger, the four Hydrogenation iso-butane device and method of mixing carbon using the heat exchanger | 宁波东鼎石化装备有限公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-107428978-A | Combination of silica and graphite and use thereof to reduce thermal conductivity of vinyl aromatic polymer foams | 西索斯公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-1061900-C | SAPO-34/ceramic composite separation film and preparation thereof | CHINESE PETROCHEMICAL CORP (CN) | 2001-02-14 | — | — | CN | disclosed |
| EP-0679437-B1 | Periodic regeneration of a deactivated solid alkylation catalyst with hydrogen | UOP INC (US) | 1998-08-19 | — | — | EP | disclosed |
| CN-1167005-A | SAPO-34/ceramic composite separation film and preparation thereof | CHINESE PETROCHEMICAL GENERAL (CN) | 1997-12-10 | — | — | CN | disclosed |
| EP-0679437-A1 | Periodic regeneration of a deactivated solid alkylation catalyst with hydrogen | UOP (US) | 1995-11-02 | — | — | EP | disclosed |
| US-5310713-A | Regeneration of an alkylation catalyst with hydrogen | UOP (US) | 1994-05-10 | — | — | US | disclosed |