⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30017481 | 1.00 | — | — | |
| SCHEMBL12314345 | 0.82 | — | — | |
| SCHEMBL11806261 | 0.82 | — | — | |
| SCHEMBL4799744 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL93558 | 0.80 | TDP1 (0.48) | — | |
| SCHEMBL10921623 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL93559 | 0.80 | TDP1 (0.48) | — | |
| SCHEMBL9504876 | 0.79 | — | — | |
| SCHEMBL11311526 | 0.79 | — | — | |
| SCHEMBL16716791 | 0.78 | ALOX15 (0.46) | — |
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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6300515-B1 | ISOMERIZING AT LEAST ONE ALLYLIC SUBSTRATE HAVING ACYLOXYL GROUP OR HYDROXYL GROUP AT ALLYL POSITION THEREOF, TO PRODUCE CORRESPONDING ALLYLIC ISOMER, IN PRESENCE OF CATALYST COMPRISING GROUP VIII-X METAL COMPOUND AND PHOSPHITE COMPOUND | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-10-09 | — | — | US | claimed |
| JP-10265439-A | — | — | None | — | — | JP | disclosed |
| CN-118265752-A | Composition containing inorganic/organic hybrid compound | 信越化学工业株式会社 | 2024-06-28 | — | — | CN | disclosed |
| US-10065938-B2 | Method for producing hydride using unsaturated compound having carbon number of 4 as raw material | MITSUBISHI CHEMICAL CORPORATION (JP) | 2018-09-04 | — | — | US | disclosed |
| US-9522897-B2 | Method for producing hydride using unsaturated compound having carbon number of 4 as raw material | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-12-20 | — | — | US | disclosed |
| US-20160297786-A1 | METHOD FOR PRODUCING HYDRIDE USING UNSATURATED COMPOUND HAVING CARBON NUMBER OF 4 AS RAW MATERIAL | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-10-13 | — | — | US | disclosed |
| US-20140135511-A1 | METHOD FOR PRODUCING HYDRIDE USING UNSATURATED COMPOUND HAVING CARBON NUMBER OF 4 AS RAW MATERIAL | MITSUBISHI CHEMICAL CORPORATION (JP) | 2014-05-15 | — | — | US | disclosed |
| US-7423168-B2 | Reacting allyl starting compound with oxygen nucleophilic agent in presence of transition metal catalyst and monodentate phosphite | MITSUBISHI CHEMICAL CORPORATION (JP) | 2008-09-09 | — | — | US | disclosed |
| US-7241857-B2 | Method for producing allyl compound, and ether or ester compound produced thereby | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-07-10 | — | — | US | disclosed |
| US-7173157-B2 | Method for producing an allyl compound | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-02-06 | — | — | US | disclosed |
| WO-1989002883-A1 | A PROCESS FOR THE PREPARATION OF 1,4-DISUBSTITUTED 2-BUTENES | EASTMAN KODAK COMPANY (US) | 1989-04-06 | — | — | WO | disclosed |
| US-4480123-A | Preparation of diacyloxyalkadienes | BASF AKTIENGESELLSCHAFT (DE) | 1984-10-30 | — | — | US | disclosed |
| US-4468525-A | Preparation of diacyloxyhexadienes from hexatrienes | BASF AKTIENGESELLSCHAFT (DE) | 1984-08-28 | — | — | US | disclosed |
| EP-0042098-A2 | Process for the preparation of 1-butene-3,4-diolemonoesters and 1-butene-3-alkyl-3,4-diolemonoesters | BASF Aktiengesellschaft (DE) | 1981-12-23 | — | — | EP | disclosed |
| EP-0012367-B1 | METHOD FOR THE PREPARATION OF VINYLGLYCOL ESTERS | BASF Aktiengesellschaft (DE) | 1981-11-11 | — | — | EP | disclosed |
| US-4239910-A | ACYLOXYLATION OF BUTADIENE | BASF AKTIENGESELLSCHAFT (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4233455-A | REACTION OF A CONJUGATED DIOLEFIN, OXYGEN AND A FATTY ACID OVER A METAL CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1980-11-11 | — | — | US | disclosed |
| EP-0012367-A1 | Method for the preparation of vinylglycol esters | BASF Aktiengesellschaft (DE) | 1980-06-25 | — | — | EP | disclosed |
| US-4203865-A | LEAD COMPOUND, ALKALI METAL COMPOUND, AND A HALOGENATED OLEFIN | PHILLIPS PETROLEUM COMPANY (US) | 1980-05-20 | — | — | US | disclosed |
| US-4099018-A | REACTION WITH CARBOXY COMPOUND, CATALYTIC LEAD COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1978-07-04 | — | — | US | disclosed |