⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4057344 | 0.97 | — | — | |
| Fluoromethane SCHEMBL28188545 | 0.93 | — | — | |
| Pyridine SCHEMBL28077493 | 0.83 | CYP19A1 (0.39) | — | |
| SCHEMBL28250661 | 0.74 | MMP3 (0.50) | — | |
| SCHEMBL3259783 | 0.72 | — | — | |
| SCHEMBL1006149 | 0.72 | — | — | |
| SCHEMBL45942 | 0.64 | CA2 (0.69) | — | |
| Water SCHEMBL28189314 | 0.64 | CA2 (0.69) | — | |
| SCHEMBL2503454 | 0.64 | CA2 (0.69) | — | |
| Water SCHEMBL28254092 | 0.64 | CA2 (0.69) | — |
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 1650 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114685343-B | 3-cyano pyrrole compound and preparation method thereof | 中国科学院福建物质结构研究所 | 2023-10-03 | — | — | CN | claimed |
| EP-3790870-B1 | CYCLOPENTANE COMPOUNDS | DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) | 2023-04-19 | — | — | EP | claimed |
| CN-114685343-A | 3-cyanopyrrole compound and preparation method thereof | 中国科学院福建物质结构研究所 | 2022-07-01 | — | — | CN | claimed |
| US-11369565-B2 | Amino-pyrimidine skeletal muscle modulators | CYTOKINETICS, INC. (US) | 2022-06-28 | — | — | US | claimed |
| WO-2021180338-A1 | COMBINATION TREATMENT WITH A P53 REACTIVATOR AND AN INHIBITOR OF DNA METHYLTRANSFERASE POST STEM CELL TRANSPLANT | APREA THERAPEUTICS AB (SE) | 2021-09-16 | — | — | WO | claimed |
| US-20210045997-A1 | AMINO-PYRIMIDINE SKELETAL MUSCLE MODULATORS | CYTOKINETICS, INC. | 2021-02-18 | — | — | US | claimed |
| WO-2020196767-A1 | FOAMED MULTILAYER SHEET, UNFOAMED MULTILAYER SHEET, FUNGICIDE, AND RESIN COMPOSITION | 大日本印刷株式会社 | 2020-10-01 | — | — | WO | claimed |
| CN-105712974-B | Certain amino-pyrimidines, compositions thereof and methods of use thereof | 赛特凯恩蒂克公司 | 2020-07-31 | — | — | CN | claimed |
| CN-110062771-A | Polymer, resin composition, antifouling coating composition, method for producing polymer, method for forming structure for stabilizing urethane on coating film surface, and method for regenerating structure for stabilizing urethane on coating film surface | 学校法人早稻田大学 | 2019-07-26 | — | — | CN | claimed |
| CN-109776376-A | Device and synthetic method of the continuous synthesis bromo- 2- of 4- to chloro- 5- trifluoromethyl pyrpole -3- nitrile | 湘潭大学 | 2019-05-21 | — | — | CN | claimed |
| EP-0505742-B1 | Process for the production of 4-cyanopyrrole compounds substituted at the 3-position | BAYER AG (DE) | 2000-09-20 | — | — | EP | claimed |
| CN-1224577-A | Arylpyrroles for protection of wood, wood products and wooden structures from insect attack | AMERICAN CYANAMID CO (US) | 1999-08-04 | — | — | CN | claimed |
| CN-1223070-A | Arylpyrroles for subterranean termite control | AMERICAN CYANAMID CO (US) | 1999-07-21 | — | — | CN | claimed |
| CN-1043503-C | Pyrrole carbonitrile and nitro-pyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof | AMERICAN CYANAMID CO (US) | 1999-06-02 | — | — | CN | claimed |
| CN-1145170-A | Use of pyrrole compounds as antifouling agents | AMERICAN CYANAMID CO (US) | 1997-03-19 | — | — | CN | claimed |
| CN-1029313-C | Preparation method of pyrrole carbonitrile and nitropyrrole | AMERICAN CYANAMID CO (US) | 1995-07-12 | — | — | CN | claimed |
| CN-1098590-A | The application of pyrrole carbonitrile and nitro-pyrrole | AMERICAN CYANAMID CO (US) | 1995-02-15 | — | — | CN | claimed |
| CN-1063281-A | 2-aryl-5- (trifluoromethyl) -2-pyrroline compounds and process for preparing insecticide, 2-aryl-1- (alkoxymethyl) -4-halo-5- (trifluoromethyl) pyrrole | AMERICAN CYANAMID CO (US) | 1992-08-05 | — | — | CN | claimed |
| CN-1043317-A | Pyrrolonitrile and nitropyrrole insecticides, acaricides and molluscicides and processes for their preparation | AMERICAN CYANAMID CO (US) | 1990-06-27 | — | — | CN | claimed |
| US-4925901-A | STORAGE STAABILITY, ONIUM ION CATALYST | THE DOW CHEMICAL COMPANY (US) | 1990-05-15 | — | — | US | claimed |