⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL538982 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL18398541 | 0.61 | — | — | |
| SCHEMBL10881222 | 0.58 | — | — | |
| SCHEMBL17394824 | 0.54 | — | — | |
| SCHEMBL6364430 | 0.48 | — | — | |
| SCHEMBL5323960 | 0.48 | — | — | |
| Benzoquinone SCHEMBL3208089 | 0.47 | — | — | |
| Benzoquinone SCHEMBL18103 | 0.47 | — | — | |
| Benzoquinone SCHEMBL5308519 | 0.47 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL30679171 | 0.47 | — | — |
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 243 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113943281-B | Synthetic method and application of isoxazole pyrimidine derivative | 深圳湾实验室 | 2023-08-15 | — | — | CN | claimed |
| WO-2022253252-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS | SILEXON BIOTECH CO., LTD. (CN) | 2022-12-08 | — | — | WO | claimed |
| CN-113943281-A | Synthesis method and application of isoxazole pyrimidine derivative | 深圳湾实验室 | 2022-01-18 | — | — | CN | claimed |
| WO-2021108408-A1 | HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE | AMGEN INC. (US) | 2021-06-03 | — | — | WO | claimed |
| WO-2015019037-A1 | PHARMACEUTICAL COMPOUNDS | ALMAC DISCOVERY LIMITED (GB) | 2015-02-12 | — | — | WO | claimed |
| EP-2626360-A1 | Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators | Glenmark Pharmaceuticals S.A. (CH) | 2013-08-14 | — | — | EP | claimed |
| EP-1002520-B1 | Composition for oxidative dying of keratinous fibres and dying process therewith | OREAL (FR) | 2008-10-29 | — | — | EP | claimed |
| EP-0988021-B1 | KERATIN FIBRE OXIDATION DYEING COMPOSITION AND DYEING METHOD USING SAME | OREAL (FR) | 2003-11-12 | — | — | EP | claimed |
| EP-1307458-A1 | PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES | Almirall Prodesfarma, S.A. (ES) | 2003-05-07 | — | — | EP | claimed |
| EP-1181005-A1 | OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME | L'OREAL (FR) | 2002-02-27 | — | — | EP | claimed |
| EP-0138995-B1 | REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES | South Alabama Medical Science Foundation (US) | 1991-08-14 | — | — | EP | claimed |
| US-4985432-A | 5H-1,3,4-thiadiazolo(3,2-A)pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1991-01-15 | — | — | US | claimed |
| EP-0147312-B1 | IMIDAZO(1,2-C)PYRIMIDINES AND THEIR SALTS, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1989-04-19 | — | — | EP | claimed |
| EP-0138995-A4 | REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. | UNIV SOUTH ALABAMA (US) | 1988-05-10 | — | — | EP | claimed |
| US-4548938-A | PSYCHOTROPIC AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-10-22 | — | — | US | claimed |
| US-4529727-A | Pyrimido[2,1-b][1,3]-thiazines | JANSSEN PHARMACEUTICAL, N.V. (BE) | 1985-07-16 | — | — | US | claimed |
| EP-0138995-A1 | REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. | UNIV SOUTH ALABAMA (US) | 1985-05-02 | — | — | EP | claimed |
| WO-1984004040-A1 | REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES | UNIV SOUTH ALABAMA (US) | 1984-10-25 | — | — | WO | claimed |
| US-4443451-A | PSYCHOTROPIC, ANTIHISTAMINES, ANTISEROTONINE | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-04-17 | — | — | US | claimed |
| EP-0081945-A2 | Substituted pyrimidinyl organophosphorus compounds, compositions thereof and methods of controlling pests | UNIROYAL, INC. (US) | 1983-06-22 | — | — | EP | claimed |