⚠ 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL6579058 | 1.00 | TSHR (0.93) | — | |
| Benzonitrile SCHEMBL3401162 | 0.97 | TSHR (0.88) | — | |
| Benzonitrile SCHEMBL3056732 | 0.97 | TSHR (0.88) | — | |
| Benzonitrile SCHEMBL30929383 | 0.97 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL6640 | 0.97 | — | — | |
| Benzonitrile SCHEMBL9464940 | 0.97 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL11044747 | 0.97 | — | — | |
| Benzonitrile SCHEMBL27363057 | 0.97 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL21752925 | 0.97 | — | — | |
| Benzonitrile SCHEMBL27793280 | 0.97 | TSHR (1.00) | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1289189-C | Tin promoted platinum catalyst for carbonylation of lower alkyl alcohols | EASTMAN CHEM CO (US) | 2006-12-13 | — | — | CN | claimed |
| CN-1503694-A | Tin promoted platinum catalyst for carbonylation of lower alkyl alcohols | �Ϻ���ͨ��ѧ | 2004-06-09 | — | — | CN | claimed |
| CN-112654630-B | Tetradentate diaminodiphosphine ligands, transition metal complexes, methods for their production and use thereof | 高砂香料工业株式会社 | 2024-05-24 | — | — | CN | disclosed |
| CN-115427514-A | Resin composition, light-shielding film and substrate with partition wall | 东丽株式会社 | 2022-12-02 | — | — | CN | disclosed |
| CN-115397797-A | Hydrogenation of L-sorbose | 巴斯夫欧洲公司 | 2022-11-25 | — | — | CN | disclosed |
| CN-112368611-B | Resin composition, light-shielding film, method for producing light-shielding film, and substrate with partition | 东丽株式会社 | 2022-11-22 | — | — | CN | disclosed |
| CN-115356873-A | Resin composition, light-shielding film, method for producing light-shielding film, and substrate with partition | 东丽株式会社 | 2022-11-18 | — | — | CN | disclosed |
| CN-113423682-A | Process for producing acetals from carbon dioxide | 巴斯夫欧洲公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-113262231-A | Application of benzoxazole-based S, N, S-three-coordination mononuclear platinum complex in preparation of medicine for treating triple-negative breast cancer | 江汉大学 | 2021-08-17 | — | — | CN | disclosed |
| CN-108884227-B | Organosilicon compound and surface treatment agent composition | 信越化学工业株式会社 | 2021-08-10 | — | — | CN | disclosed |
| CN-112368611-A | Resin composition, light-shielding film, method for producing light-shielding film, and substrate with partition | 东丽株式会社 | 2021-02-12 | — | — | CN | disclosed |
| CN-1503694-A | Tin promoted platinum catalyst for carbonylation of lower alkyl alcohols | �Ϻ���ͨ��ѧ | 2004-06-09 | — | — | CN | disclosed |
| CN-1348477-A | Printable release coating and stamp construction | AVERY DENNISON CORP (US) | 2002-05-08 | — | — | CN | disclosed |
| CN-1334791-A | Process for the carbonylation of lower alkyl alcohols | EASTMAN CHEM CO (US) | 2002-02-06 | — | — | CN | disclosed |
| CN-1046263-C | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INT RESEARCH (NL) | 1999-11-10 | — | — | CN | disclosed |
| CN-1119433-A | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INT RESEARCH (NL) | 1996-03-27 | — | — | CN | disclosed |
| US-5475146-A | Reacting vinyl compound with carbon monoxide and hydrogen in presence of catalyst containing cobalt, rhodium, platinum and/or iridium and chiral carbohydrate phosphorus ligand substituted with electron withdrawing groups | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-12-12 | — | — | US | disclosed |
| EP-0340637-A2 | Polymerization initiators | WACKER-CHEMIE GMBH (DE) | 1989-11-08 | — | — | EP | disclosed |
| EP-0313912-A2 | Crosslinking of vinyl silane and azidosilane modified thermoplastic polymers by moisture | HERCULES INCORPORATED (US) | 1989-05-03 | — | — | EP | disclosed |
| US-4812519-A | Crosslinking of vinyl silane and azidosilane modified thermoplastic polymers by moisture | HERCULES INCORPORATED (US) | 1989-03-14 | — | — | US | disclosed |