⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23722482 | 1.00 | ALDH1A1 (0.47) | — | |
| Methyl Alcohol SCHEMBL8330257 | 0.95 | — | — | |
| Fluoride SCHEMBL27958735 | 0.95 | — | — | |
| Water SCHEMBL16756176 | 0.95 | ALDH1A1 (0.44) | — | |
| SCHEMBL27511034 | 0.88 | HSD17B10 (0.50) | — | |
| Ethylene Glycol SCHEMBL5494887 | 0.84 | — | — | |
| Acetic Acid SCHEMBL1088495 | 0.84 | — | — | |
| SCHEMBL28876075 | 0.79 | ALDH1A1 (0.35) | — | |
| Ether SCHEMBL16756175 | 0.79 | THRB (0.39) | — | |
| SCHEMBL10703864 | 0.77 | ALDH1A1 (0.41) | — |
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
Appears in 5452 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3442938-B1 | PRODUCTION OF MONOMERS FROM LIGNIN DURING DEPOLYMERISATION OF LIGNOCELLULOSE-CONTAINING COMPOSITION | ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) | 2025-11-19 | — | — | EP | claimed |
| CN-119019649-B | Cycloolefin polymer and preparation method thereof | 中石油(上海)新材料研究院有限公司 | 2025-06-03 | — | — | CN | claimed |
| CN-120058554-A | Epoxy curing agent containing double dynamic bonds, preparation method thereof, degradable and reconfigurable epoxy resin material and preparation method thereof | 西安智聚复合材料科技有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-120058637-A | Preparation method of unsaturated ketone and catalyst used in preparation method | 山东新和成精化科技有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-119842432-A | Gear oil composition and preparation method thereof | 中国石油化工股份有限公司 | 2025-04-18 | — | — | CN | claimed |
| CN-119842428-A | Composite lithium-based lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2025-04-18 | — | — | CN | claimed |
| CN-119823805-A | Trimethylolpropane ester composition and preparation method and application thereof | 中国石油化工股份有限公司 | 2025-04-15 | — | — | CN | claimed |
| CN-119569556-A | Method for preparing methyl heptenone | 万华化学集团股份有限公司 | 2025-03-07 | — | — | CN | claimed |
| CN-117550962-B | Preparation method of 5, 6-dimethyl-5-hepten-2-one | 万华化学集团股份有限公司 | 2025-02-18 | — | — | CN | claimed |
| US-12215185-B2 | Recyclable and reworkable epoxy resins | ADITYA BIRLA CHEMICALS (THAILAND) LTD. (EPOXY DIVISION) (TH) | 2025-02-04 | — | — | US | claimed |
| EP-0234348-A2 | N-glycosyl amide derivatives, method for their preparation and their use as medicaments | BAYER AG (DE) | 1987-09-02 | — | — | EP | claimed |
| EP-0087916-A1 | 9-Dihydro-11,12-ketal derivatives of erythromycin A and epi-erythromycin A | PFIZER INC. (US) | 1983-09-07 | — | — | EP | claimed |
| US-4312785-A | TRIVALENT TITANIUM ALKYLATION AND ISOMERIZATION CATALYST | UOP INC. (US) | 1982-01-26 | — | — | US | claimed |
| US-4313021-A | ISOMERIZATION AND TRANSALKYLATION | UOP INC. (US) | 1982-01-26 | — | — | US | claimed |
| US-4243827-A | TITANIUM ALKYLATION CATALYST | UOP INC. (US) | 1981-01-06 | — | — | US | claimed |
| US-4236023-A | Preparation of unsaturated monoesters by the catalytic oxidative carbonylation of diolefins with an enol ether or 1-alkoxycycloalkene | ATLANTIC RICHFIELD COMPANY (US) | 1980-11-25 | — | — | US | claimed |
| EP-0005748-A2 | Process for the preparation of cyclohexenyl derivatives, and intermediates produced in the synthesis | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-12-12 | — | — | EP | claimed |
| US-4166913-A | COMPOUNDS OF PLATINUM GROUP AND OF COPPER OR IRON AS CATALYSTS | ATLANTIC RICHFIELD COMPANY (US) | 1979-09-04 | — | — | US | claimed |
| US-4065490-A | Process for the preparation of oxalate esters from carbon monoxide and an enol ether | ATLANTIC RICHFIELD COMPANY (US) | 1977-12-27 | — | — | US | claimed |
| US-3996307-A | REACTED WITH AN ISOPROPENYL ALKYL ETHER TO FORM KETAL GROUPS | THE DOW CHEMICAL COMPANY (US) | 1976-12-07 | — | — | US | claimed |