⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27527091 | 1.00 | ACHE (0.52) | — | |
| SCHEMBL29559382 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28629128 | 0.98 | ACHE (0.50) | — | |
| Hydrochloric Acid SCHEMBL29392287 | 0.98 | ACHE (0.50) | — | |
| Hydrochloric Acid SCHEMBL28805504 | 0.98 | ACHE (0.50) | — | |
| Benzonitrile SCHEMBL2153845 | 0.93 | TSHR (0.61) | — | |
| Toluene SCHEMBL27934904 | 0.93 | TSHR (0.54) | — | |
| M-Xylene SCHEMBL3919429 | 0.93 | ACHE (0.57) | — | |
| SCHEMBL19260363 | 0.91 | AR (0.45) | — | |
| SCHEMBL28940769 | 0.91 | ENPP2 (0.47) | — |
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 4430 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 |
|---|---|---|---|---|---|---|---|
| CN-121735989-B | Method for catalyzing hydroboration reaction of nitrile compound | WEIFANG UNIVERSITY (CN) | 2026-05-26 | — | — | CN | claimed |
| CN-122091751-A | Composite electrolyte additive composition, electrolyte, preparation and application | — | 2026-05-26 | — | — | CN | claimed |
| CN-122010850-A | Synthesis method of 3- (5-bromopyrimidinyl) benzyl alcohol | 广东莱佛士制药技术有限公司 | 2026-05-12 | — | — | CN | claimed |
| US-20260002924-A1 | METHOD FOR SELECTING ESTER FUNCTIONAL GROUP-CONTAINING POLYMERS FROM MIXTURE OF ESTER FUNCTIONAL GROUP-CONTAINING POLYMERS AND OTHER TYPES OF POLYMERS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2026-01-01 | — | — | US | claimed |
| EP-4644365-A1 | METHOD FOR PRODUCING PHTHALONITRILE AND METHOD FOR PURIFYING PHTHALONITRILE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2025-11-05 | — | — | EP | claimed |
| EP-4491613-A2 | METHOD FOR PRODUCING PURIFIED PHTHALONITRILE AND METHOD FOR PURIFYING PHTHALONITRILE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2025-01-15 | — | — | EP | claimed |
| EP-4477693-A1 | METHOD FOR SELECTING ESTER FUNCTIONAL GROUP-CONTAINING POLYMERS FROM MIXTURE OF ESTER FUNCTIONAL GROUP-CONTAINING POLYMERS AND OTHER TYPES OF POLYMERS | Korea Research Institute of Chemical Technology (KR) | 2024-12-18 | — | — | EP | claimed |
| EP-4112598-B1 | METHOD FOR PRODUCING PURIFIED PHTHALONITRILE AND METHOD FOR PURIFYING PHTHALONITRILE | MITSUBISHI GAS CHEMICAL CO (JP) | 2024-12-18 | — | — | EP | claimed |
| CN-119080623-A | Application of catalyst in preparation of primary amine by catalyzing nitrile compound hydrogenation | 嘉庚创新实验室 | 2024-12-06 | — | — | CN | claimed |
| EP-3887375-B1 | 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES | BioVersys AG (CH) | 2024-11-20 | — | — | EP | claimed |
| US-20030089280-A1 | Ternary pigment compositions | LENZ ROMAN (CH) | 2003-05-15 | — | — | US | claimed |
| CN-1396159-A | 2,4,6-trisubstituent-sym-triazine compound and its synthesizing process | UNIV SHANXI (CN) | 2003-02-12 | — | — | CN | claimed |
| WO-2002100344-A2 | AMINO ACID CONJUGATES PROVIDING FOR SUSTAINED SYSTEMIC CONCENTRATIONS OF GABA ANALOGUES | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| US-20010015154-A1 | Ternary pigment compositions | CIBA SPECIALTY CHEMICALS CORP. | 2001-08-23 | — | — | US | claimed |
| CN-1309152-A | Ternary pigment composition | CIBA SC HOLDING AG (CH) | 2001-08-22 | — | — | CN | claimed |
| EP-1120444-A2 | Ternary pigment compositions | Ciba SC Holding AG (CH) | 2001-08-01 | — | — | EP | claimed |
| CN-1255154-A | Colorant blends containing salt-forming AZO pigment and 1,4-diketo-3,6-diaryrrolo (3,4-C) pyrolle | CIBA SC HOLDING AG (CH) | 2000-05-31 | — | — | CN | claimed |
| EP-0556156-B1 | Process for the preparation of 2-hydroxy-4,6-diaryl-1,3,5-triazine | CIBA GEIGY AG (CH) | 1996-09-25 | — | — | EP | claimed |
| US-4134910-A | DIRECT CONTACT QUENCHING OF EFFLUENTS | THE LUMMUS COMPANY (US) | 1979-01-16 | — | — | US | claimed |
| US-4005160-A | Preparation of α-amino phosphonic acid derivatives | PETROLITE CORPORATION (US) | 1977-01-25 | — | — | US | claimed |