⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10776291 | 0.86 | — | — | |
| SCHEMBL15672003 | 0.84 | — | — | |
| SCHEMBL12386921 | 0.84 | NOS3 (0.44) | — | |
| SCHEMBL10884196 | 0.84 | CYP1A2 (0.41) | — | |
| SCHEMBL22722355 | 0.82 | EPHX1 (0.41) | — | |
| SCHEMBL1353432 | 0.79 | — | — | |
| SCHEMBL14724422 | 0.79 | — | — | |
| SCHEMBL347589 | 0.78 | — | — | |
| SCHEMBL23868154 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL21689251 | 0.76 | SAT1 (0.38) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111377788-B | Method for oligomerization of isobutene | 中国石油化工股份有限公司 | 2023-01-10 | — | — | CN | disclosed |
| CN-114436855-A | Method for preparing tert-butylamine from isobutene | 中国石油化工股份有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-111377788-A | Method for oligomerization of isobutene | 中国石油化工股份有限公司 | 2020-07-07 | — | — | CN | disclosed |
| CN-107430942-B | Dye-sensitized solar cell and electrolyte for dye-sensitized solar cell | 住友精化株式会社 | 2019-12-13 | — | — | CN | disclosed |
| US-20180114919-A1 | DYE-SENSITIZED SOLAR CELL AND ELECTROLYSIS SOLUTION FOR DYE-SENSITIZED SOLAR CELL | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2018-04-26 | — | — | US | disclosed |
| EP-3288051-A1 | DYE-SENSITIZED SOLAR CELL AND ELECTROLYSIS SOLUTION FOR DYE-SENSITIZED SOLAR CELL | Sumitomo Seika Chemicals Co. Ltd. (JP) | 2018-02-28 | — | — | EP | disclosed |
| EP-1773869-B9 | MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR | TRANZYME PHARMA INC (CA) | 2013-01-23 | — | — | EP | disclosed |
| EP-0127486-B1 | PROCESS FOR HYDRATION OF OLEFINS | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1986-07-16 | — | — | EP | disclosed |
| US-4507512-A | PRETREATED HYDROGEN-TYPE ZEOLITE CATALYST AND SOLVENT; CATALYST SELECTIVITY; ALCOHOLS | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1985-03-26 | — | — | US | disclosed |
| EP-0127486-A1 | Process for hydration of olefins | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1984-12-05 | — | — | EP | disclosed |