⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11319703 | 0.81 | CA12 (0.39) | — | |
| SCHEMBL9558593 | 0.78 | — | — | |
| SCHEMBL3816588 | 0.77 | — | — | |
| SCHEMBL30287659 | 0.74 | — | — | |
| SCHEMBL1728549 | 0.74 | — | — | |
| SCHEMBL4328432 | 0.74 | — | — | |
| SCHEMBL30336733 | 0.74 | — | — | |
| SCHEMBL28010091 | 0.73 | — | — | |
| SCHEMBL30287665 | 0.72 | — | — | |
| SCHEMBL3816927 | 0.72 | ALDH1A1 (0.48) | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118239819-A | Method for preparing 4-halogenated-3-fluorotoluene | 沈阳中化农药化工研发有限公司 | 2024-06-25 | — | — | CN | claimed |
| US-20240082198-A1 | STABILIZED ALKYL NITRITE COMPOSITIONS | EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) | 2024-03-14 | — | — | US | claimed |
| WO-2022072663-A1 | STABILIZED ALKYL NITRITE COMPOSITIONS | EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) | 2022-04-07 | — | — | WO | claimed |
| EP-0425197-B2 | Process for preparing diester of carbonic acid | UBE INDUSTRIES (JP) | 1998-07-29 | — | — | EP | claimed |
| EP-0501507-B1 | Process for preparing diester of carbonic acid | UBE INDUSTRIES (JP) | 1995-09-27 | — | — | EP | claimed |
| CN-1086997-A | A kind of Therapeutic Method that uses vasodilation | BAKER NORTON PHARMA (US) | 1994-05-25 | — | — | CN | claimed |
| US-5162563-A | From Carbon Monoxide and Organic Nitrite, Platinum Group Catalyst | UBE INDUSTRIES, LTD. (JP) | 1992-11-10 | — | — | US | claimed |
| EP-0501507-A2 | Process for preparing diester of carbonic acid | UBE INDUSTRIES, LTD. (JP) | 1992-09-02 | — | — | EP | claimed |
| EP-0425197-A2 | Process for preparing diester of carbonic acid | UBE INDUSTRIES, LTD. (JP) | 1991-05-02 | — | — | EP | claimed |
| US-4161611-A | Process for the production of 2-methoxy-3,6-dichlorobenzoic acid | Veesicol Chemical Corporation (US) | 1979-07-17 | — | — | US | claimed |
| EP-4733296-A1 | PROCESS FOR THE PREPARATION OF 2-C3-C4 ALKANONE OXIMES | BASF SE (DE) | 2026-04-29 | — | — | EP | disclosed |
| CN-113166004-B | Method for preparing 5-bromo-1, 3-dichloro-2-fluorobenzene | 巴斯夫欧洲公司 | 2024-11-29 | — | — | CN | disclosed |
| CN-118239819-A | Method for preparing 4-halogenated-3-fluorotoluene | 沈阳中化农药化工研发有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-115703726-B | Trifluoromethyl phenyl sulfide compound | 上海泰初化工技术有限公司 | 2024-04-02 | — | — | CN | disclosed |
| US-20240082198-A1 | STABILIZED ALKYL NITRITE COMPOSITIONS | EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) | 2024-03-14 | — | — | US | disclosed |
| US-5162563-A | From Carbon Monoxide and Organic Nitrite, Platinum Group Catalyst | UBE INDUSTRIES, LTD. (JP) | 1992-11-10 | — | — | US | disclosed |
| EP-0503091-A1 | PROCESS FOR PRODUCING DIESTER OF CARBONIC ACID | UBE INDUSTRIES, LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |
| EP-0503618-A1 | Method of producing carbonic acid diester | UBE INDUSTRIES, LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |
| EP-0425197-A2 | Process for preparing diester of carbonic acid | UBE INDUSTRIES, LTD. (JP) | 1991-05-02 | — | — | EP | disclosed |
| US-4161611-A | Process for the production of 2-methoxy-3,6-dichlorobenzoic acid | Veesicol Chemical Corporation (US) | 1979-07-17 | — | — | US | disclosed |