⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30349228 | 1.00 | — | — | |
| SCHEMBL30489137 | 1.00 | — | — | |
| SCHEMBL28236276 | 0.97 | TSHR (0.48) | — | |
| Hydrochloric Acid SCHEMBL5130070 | 0.97 | TSHR (0.48) | — | |
| Benzene SCHEMBL28237898 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL30221685 | 0.97 | TSHR (0.48) | — | |
| Bromide SCHEMBL31124413 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL28303806 | 0.97 | TSHR (0.48) | — | |
| Boric Acid SCHEMBL29090056 | 0.91 | TSHR (0.43) | — | |
| SCHEMBL1869775 | 0.91 | TSHR (0.43) | — |
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
Appears in 6566 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3983411-B1 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS | PI INDUSTRIES LTD (IN) | 2026-05-27 | — | — | EP | claimed |
| EP-4743438-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS | Aarti Industries Limited (IN) | 2026-05-20 | — | — | EP | claimed |
| CN-122059917-A | Preparation method of xanthone | 湖北玖天生物医药科技有限公司 | 2026-05-19 | — | — | CN | claimed |
| US-12620624-B2 | Non-aqueous electrolytic solution for lithium secondary battery and lithium secondary battery comprising same | LG ENERGY SOLUTION, LTD. (KR) | 2026-05-05 | — | — | US | claimed |
| US-12606537-B2 | Thiophene derivatives | Ryvu Therapeutics S.A. (PL) | 2026-04-21 | — | — | US | claimed |
| EP-4048260-B1 | COMBINATION OF SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR USE IN TREATING A HEMATOLOGICAL MALIGNANCY | CELGENE CORP (US) | 2026-03-11 | — | — | EP | claimed |
| US-12573655-B2 | Lithium-sulfur secondary battery | LG ENERGY SOLUTION, LTD. (KR) | 2026-03-10 | — | — | US | claimed |
| EP-4322275-B1 | NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME | LG ENERGY SOLUTION LTD (KR) | 2026-02-18 | — | — | EP | claimed |
| EP-4665705-A1 | A PROCESSES FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE CORRESPONDING BENZOTRICHLORIDE COMPOUNDS | Aarti Industries Limited (IN) | 2025-12-24 | — | — | EP | claimed |
| US-12479845-B2 | Imidazopyridine derivative compounds and use of same | HANMI PHARM. CO., LTD. (KR) | 2025-11-25 | — | — | US | claimed |
| EP-0243000-A1 | Polycyanoaryl ether, method for preparing the same and uses thereof | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1987-10-28 | — | — | EP | claimed |
| CN-85100467-A | The preparation method of fluoro benzonitrile | — | 1986-07-16 | — | — | CN | claimed |
| EP-0073372-B1 | PROCESS FOR PRODUCING 2,6-DIFLUOROBENZONITRILE | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1984-08-01 | — | — | EP | claimed |
| US-4438042-A | FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1984-03-20 | — | — | US | claimed |
| US-4436669-A | CYANATION, DECARBONYLATION, ACID CATALYSTS | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1984-03-13 | — | — | US | claimed |
| US-4406841-A | HYDROGENATION OF 3-CHLORO- (OR 3,5-DICHLORO-2,6-DIFLUOROBENZONITRILE, PALLADIUM OR PLATINUM CATALYST | ISHIHARA SANGYO KAISHA LTD. (JP) | 1983-09-27 | — | — | US | claimed |
| EP-0049186-B1 | PROCESS FOR THE PREPARATION OF FLUOROBENZONITRILES | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1983-07-13 | — | — | EP | claimed |
| US-4351777-A | Preparation of fluorobenzonitriles | RHONE-POULENC INDUSTRIES (FR) | 1982-09-28 | — | — | US | claimed |
| EP-0049186-A1 | Process for the preparation of fluorobenzonitriles | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1982-04-07 | — | — | EP | claimed |
| US-4209457-A | Production of halogenated benzonitriles | I.S. C. Chemicals Limited (GB) | 1980-06-24 | — | — | US | claimed |