⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30368458 | 1.00 | — | — | |
| SCHEMBL29588132 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL8603359 | 0.83 | — | — | |
| SCHEMBL30117301 | 0.81 | OPRM1 (0.44) | — | |
| SCHEMBL3017216 | 0.79 | SPHK1 (0.45) | — | |
| SCHEMBL2121226 | 0.76 | — | — | |
| SCHEMBL11424135 | 0.75 | — | — | |
| SCHEMBL1694080 | 0.75 | — | — | |
| SCHEMBL8384135 | 0.75 | — | — | |
| SCHEMBL14884710 | 0.74 | — | — |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113735685-B | Method for co-production of dimethylhexynediol and methylbutynol | 四川众邦新材料股份有限公司 | 2024-03-01 | — | — | CN | claimed |
| CN-109824478-A | A kind of new process of the pure and mild diacetone alcohol of coproduction dimethylhexyne two | 西南化工研究设计院有限公司 | 2019-05-31 | — | — | CN | claimed |
| CN-104981509-B | Process for recycling polymer composition waste comprising peroxide crosslinking agent | 普睿司曼股份公司 | 2017-12-12 | — | — | CN | claimed |
| CN-107400411-A | A kind of high speed printing water-base gravure ink for nonabsorbable ground | 洋紫荆油墨(中山)有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-104981509-A | Process for recycling polymer composition waste comprising peroxide crosslinking agent | PRYSMIAN SPA | 2015-10-14 | — | — | CN | claimed |
| EP-0915823-A1 | BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) | 1999-05-19 | — | — | EP | claimed |
| WO-1998022423-A1 | BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1998-05-28 | — | — | WO | claimed |
| CN-120193279-A | Corrosion inhibitor for high temperature resistance and carbon dioxide resistance, preparation method and application | 中国石油天然气股份有限公司 | 2025-06-24 | — | — | CN | disclosed |
| CN-113880690-B | Method for co-producing tetramethyl decynyl glycol and dimethyl hexynyl alcohol | 四川众邦新材料股份有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-113735685-B | Method for co-production of dimethylhexynediol and methylbutynol | 四川众邦新材料股份有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-116507678-A | Silicone composition | 陶氏环球技术有限责任公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-113874454-B | Polyorganosiloxane anti-sticking coating, preparation and use thereof | 美国陶氏有机硅公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-115260523-A | Organic silicon elastomer emulsion and preparation method thereof | 山东东岳有机硅材料股份有限公司 | 2022-11-01 | — | — | CN | disclosed |
| US-4940787-A | Process for the carbonylation of acetylenic unsaturated compounds | SHELL OIL COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| EP-0186228-B1 | PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-08-23 | — | — | EP | disclosed |
| EP-0271144-A2 | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-06-15 | — | — | EP | disclosed |
| US-4739109-A | USING PALLADIUM COMPOUND, ORGANIC PHOSPHINE, PROTONIC ACID CATALYST | SHELL OIL COMPANY (US) | 1988-04-19 | — | — | US | disclosed |
| US-4731202-A | Process for the hydrocarboxylation of acetylenically unsaturated compounds | SHELL OIL COMPANY (US) | 1988-03-15 | — | — | US | disclosed |
| EP-0194707-A2 | Process for the hydrocarboxylation of acetylenically unsaturated compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-09-17 | — | — | EP | disclosed |
| EP-0186228-A1 | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-07-02 | — | — | EP | disclosed |