⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31467723 | 1.00 | — | — | |
| SCHEMBL4728794 | 0.82 | KDM4E (0.52) | — | |
| SCHEMBL27897814 | 0.82 | NPC1 (0.47) | — | |
| SCHEMBL11908855 | 0.82 | NPC1 (0.47) | — | |
| SCHEMBL30402614 | 0.82 | NPC1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL27940004 | 0.80 | NPC1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7452923 | 0.80 | NPC1 (0.46) | — | |
| SCHEMBL330375 | 0.80 | NPC1 (0.46) | — | |
| SCHEMBL4190714 | 0.80 | KDM4E (0.50) | — | |
| SCHEMBL15546309 | 0.76 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207515-A | Pyrazine compounds for the treatment of infectious diseases | 豪夫迈·罗氏有限公司 | 2017-09-26 | — | — | CN | claimed |
| EP-0124657-B1 | METHOD FOR THE PREPARATION OF 3,5,6-TRICHLORO-1H-PYRIDIN-2-ONE | RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) | 1987-03-11 | — | — | EP | claimed |
| CN-114163382-B | Cyclobutanamide compound or salts and composition acceptable by pesticides and application thereof | 海利尔药业集团股份有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-110072842-B | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-114605297-B | Aryl sulfide containing substituted benzylamine structure, composition and application thereof | 海利尔药业集团股份有限公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-114957062-B | Para-substituted biphenyl thioether compound, composition and application thereof | 海利尔药业集团股份有限公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-116640136-A | Sulfonamide compound or salt acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2023-08-25 | — | — | CN | disclosed |
| CN-113563322-B | Substituted benzamide isoxazoline derivative or salt acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-113582987-B | Substituted benzamide isoxazoline derivative or salt acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-111511364-A | Targeted therapeutic agents | 马德里加尔制药公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-110799194-A | Combination therapy comprising targeted therapeutic agents | 马德里加尔制药公司 | 2020-02-14 | — | — | CN | disclosed |
| CN-110785165-A | Targeted therapeutic agents | 塔弗达治疗有限公司 | 2020-02-11 | — | — | CN | disclosed |
| CN-107207515-A | Pyrazine compounds for the treatment of infectious diseases | 豪夫迈·罗氏有限公司 | 2017-09-26 | — | — | CN | disclosed |
| US-20130245009-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-19 | — | — | US | disclosed |
| US-20120149698-A1 | NOUVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | US | disclosed |
| US-4062853-A | FUNGICIDE | THE DOW CHEMICAL COMPANY (US) | 1977-12-13 | — | — | US | disclosed |