⚠ 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 | |
|---|---|---|---|---|
| Methylisothiocyanate SCHEMBL27880816 | 1.00 | — | — | |
| Methylisothiocyanate SCHEMBL28258797 | 0.95 | — | — | |
| Methylisothiocyanate SCHEMBL29112077 | 0.95 | — | — | |
| Methylisothiocyanate SCHEMBL8675064 | 0.87 | — | — | |
| Benzene SCHEMBL28224994 | 0.87 | ALDH1A1 (0.75) | — | |
| Methylisothiocyanate SCHEMBL6465727 | 0.83 | — | — | |
| Methylisothiocyanate SCHEMBL28734341 | 0.78 | — | — | |
| Methylisothiocyanate SCHEMBL21527816 | 0.74 | — | — | |
| SCHEMBL8609787 | 0.67 | — | — | |
| SCHEMBL1029 | 0.67 | — | — |
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 21486 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 |
|---|---|---|---|---|---|---|---|
| WO-2026105160-A1 | NOVEL AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2026-05-21 | — | — | WO | claimed |
| US-20260137082-A1 | FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL | SYNGENTA CROP PROTECTION AG (CH) | 2026-05-21 | — | — | US | claimed |
| CN-121197040-B | In-situ carrier hydrogel based on nano bottle packaging technology and preparation method and application thereof | 上海大学 | 2026-05-19 | — | — | CN | claimed |
| CN-120216713-B | Method for constructing image pedestrian retrieval model based on text and image pedestrian retrieval method | 华中科技大学 | 2026-05-19 | — | — | CN | claimed |
| US-20260060254-A1 | HERBICIDAL COMPOSITIONS | BAYER AG (DE) | 2026-03-05 | — | — | US | claimed |
| EP-4114183-B1 | FUNGICIDAL COMPOSITIONS | SYNGENTA CROP PROTECTION AG (CH) | 2026-02-25 | — | — | EP | claimed |
| EP-4696687-A1 | INTERMEDIATE COMPOUNDS OF PILOCARPINE AND PREPARATION METHOD THEREFOR | Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) | 2026-02-18 | — | — | EP | claimed |
| US-12552931-B2 | Dihydroxy lactam based polymers, compositions and applications thereof | ISP INVESTMENTS LLC (US) | 2026-02-17 | — | — | US | claimed |
| EP-3060043-B1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | CORTEVA AGRISCIENCE LLC (US) | 2025-11-26 | — | — | EP | claimed |
| US-12471599-B2 | Agricultural compositions comprising remodeled nitrogen fixing microbes | PIVOT BIO, INC. (US) | 2025-11-18 | — | — | US | claimed |
| US-4577022-A | Silyl compounds | JOHN WYETH & BROTHER, LTD. (GB) | 1986-03-18 | — | — | US | claimed |
| EP-0162055-A1 | FRUIT FLY ATTRACTANTS AND BAITS | THE STATE OF QUEENSLAND Department of Primary Industries (AU) | 1985-11-27 | — | — | EP | claimed |
| EP-0153229-A2 | 1-Dethia 2-thia-cephalosporanic acid derivatives, process and intermediates for their preparation, their use as therapeutic agents and the compositions containing them | ROUSSEL-UCLAF (FR) | 1985-08-28 | — | — | EP | claimed |
| WO-1985001638-A1 | FRUIT FLY ATTRACTANTS AND BAITS | COURTICE ANTONY COLIN | 1985-04-25 | — | — | WO | claimed |
| US-4496585-A | METHYL ISOTHIOCYANATE SUPPORTED BY FAUJASITE-TYPE ZEOLITE; TIME-RELEASE AGENTS; NEMATOCIDES | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1985-01-29 | — | — | US | claimed |
| EP-0018151-B1 | 6-SUBSTITUTED-ARYLPYRIDO(2,3-D)PYRIMIDIN-7-AMINES, DERIVATIVES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING ANY OF THE FOREGOING, AND PROCESSES FOR PRODUCING ANY OF THE FOREGOING | WARNER-LAMBERT COMPANY (US) | 1984-01-25 | — | — | EP | claimed |
| US-4344250-A | Method for treatment of wood using a reactive closure means to provide a time delayed release of the treating agent | OSMOSE WOOD PRESERVING CO. OF AMERICA, INC. (US) | 1982-08-17 | — | — | US | claimed |
| US-4291161-A | FUNGICIDES | DUPAAR INTERNATIONAL RESEARCH B.V. (NL) | 1981-09-22 | — | — | US | claimed |
| EP-0018151-A1 | 6-Substituted-arylpyrido(2,3-d)pyrimidin-7-amines, derivatives and salts thereof, pharmaceutical compositions containing any of the foregoing, and processes for producing any of the foregoing | WARNER-LAMBERT COMPANY (US) | 1980-10-29 | — | — | EP | claimed |
| US-4107377-A | Process for producing 3-trichloromethyl-5-loweralkylamino-1,2,4-thiadiazole | OLIN CORPORATION (US) | 1978-08-15 | — | — | US | claimed |