⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL27929488 | 0.88 | HCAR2 (0.40) | — | |
| Formamide SCHEMBL28048213 | 0.88 | CYP11B1 (0.37) | — | |
| SCHEMBL936524 | 0.82 | CYP11B1 (0.47) | — | |
| SCHEMBL1477330 | 0.80 | CHRNB2 (0.48) | — | |
| SCHEMBL28184881 | 0.79 | CYP11B1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL28737416 | 0.79 | CYP11B1 (0.46) | — | |
| SCHEMBL1040544 | 0.76 | — | — | |
| SCHEMBL1477396 | 0.76 | — | — | |
| SCHEMBL12805238 | 0.76 | — | — | |
| Water SCHEMBL28044737 | 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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119120435-A | Nitrilase mutant capable of reducing selectivity of 5-chloronicotinonitrile and improving selectivity of 6-chloronicotinonitrile and application thereof | 浙江工业大学 | 2024-12-13 | — | — | CN | claimed |
| CN-117683754-A | Nitrilase mutant and application thereof in pesticide synthesis | 浙江工业大学 | 2024-03-12 | — | — | CN | claimed |
| EP-3555106-B1 | BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | AMGEN INC (US) | 2022-03-09 | — | — | EP | claimed |
| CN-119120435-A | Nitrilase mutant capable of reducing selectivity of 5-chloronicotinonitrile and improving selectivity of 6-chloronicotinonitrile and application thereof | 浙江工业大学 | 2024-12-13 | — | — | CN | disclosed |
| CN-119120435-A | Nitrilase mutant capable of reducing selectivity of 5-chloronicotinonitrile and improving selectivity of 6-chloronicotinonitrile and application thereof | 浙江工业大学 | 2024-12-13 | — | — | CN | disclosed |
| CN-119120435-A | Nitrilase mutant capable of reducing selectivity of 5-chloronicotinonitrile and improving selectivity of 6-chloronicotinonitrile and application thereof | 浙江工业大学 | 2024-12-13 | — | — | CN | disclosed |
| US-20240336609-A1 | PYRIDAZINONE COMPOUNDS AND USES THEREOF | EDGEWISE THERAPEUTICS, INC. | 2024-10-10 | — | — | US | disclosed |
| EP-4433473-A1 | PYRIDAZINONE COMPOUNDS AND USES THEREOF | EDGEWISE THERAPEUTICS, INC. (US) | 2024-09-25 | — | — | EP | disclosed |
| US-20240109881-A1 | Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-04-04 | — | — | US | disclosed |
| CN-117683754-A | Nitrilase mutant and application thereof in pesticide synthesis | 浙江工业大学 | 2024-03-12 | — | — | CN | disclosed |
| CN-114181139-B | Synthesis method of 5-halogenated nicotinic acid | 四川仁安药业有限责任公司 | 2023-12-08 | — | — | CN | disclosed |
| EP-1481978-A1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | Mitsubishi Rayon Co., Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |
| US-6693210-B2 | USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS | MITSUBISHI RAYON CO., LTD. (JP) | 2004-02-17 | — | — | US | disclosed |
| EP-0899256-B1 | Method for production of organic fluorine compound | NIPPON CATALYTIC CHEM IND (JP) | 2003-08-06 | — | — | EP | disclosed |
| US-20030065208-A1 | Using palladium, nickel phosphine complex as catalysts | MITSUBISHI RAYON CO., LTD. (JP) | 2003-04-03 | — | — | US | disclosed |
| EP-1270582-A1 | TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE | Mitsubishi Rayon Co., Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| EP-1233010-A1 | Method for production of organic fluorine compound | Nippon Shokubai Co., Ltd. (JP) | 2002-08-21 | — | — | EP | disclosed |
| US-6392084-B1 | FLUORINATION OF AN ORGANO(BROMINE OR CHLORIDE) COMPOUND IN BENZONITRILE SOLVENT | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-05-21 | — | — | US | disclosed |
| EP-0899256-A2 | Method for production of organic fluorine compound | NIPPON SHOKUBAI CO., LTD. (JP) | 1999-03-03 | — | — | EP | disclosed |
| EP-0120575-A1 | Organic fluorine compounds | Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) | 1984-10-03 | — | — | EP | disclosed |