⚠ 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 | |
|---|---|---|---|---|
| Allyl Isothiocyanate SCHEMBL900655 | 1.00 | TRPA1 (1.00) | — | |
| Allyl Isothiocyanate SCHEMBL9446554 | 0.97 | — | — | |
| Allyl Isothiocyanate SCHEMBL29036465 | 0.97 | — | — | |
| Allyl Isothiocyanate SCHEMBL30306280 | 0.97 | — | — | |
| Allyl Isothiocyanate SCHEMBL9446558 | 0.97 | — | — | |
| Allyl Isothiocyanate SCHEMBL1091916 | 0.94 | — | — | |
| Allyl Isothiocyanate SCHEMBL27597400 | 0.92 | TRPA1 (0.84) | — | |
| Allyl Isothiocyanate SCHEMBL704136 | 0.92 | — | — | |
| Allyl Isothiocyanate SCHEMBL6049850 | 0.89 | TRPA1 (0.80) | — | |
| Allyl Isothiocyanate SCHEMBL27969459 | 0.87 | TRPA1 (0.76) | — |
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 26701 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 |
|---|---|---|---|---|---|---|---|
| US-20260144780-A1 | COMPOSITION FOR ENHANCING ADRENOMEDULLIN GENE EXPRESSION | HOUSE WELLNESS FOODS CORPORATION (JP) | 2026-05-28 | — | — | US | claimed |
| CN-122080462-A | Photo-start photo-thermal conversion temperature-sensitive slow-release antibacterial composite film and preparation and application thereof | — | 2026-05-26 | — | — | CN | claimed |
| WO-2026105542-A1 | FOOD COMPOSITION AND METHOD FOR MASKING OFF-FLAVOR IN FOOD COMPOSITION | 日清オイリオグループ株式会社 | 2026-05-21 | — | — | WO | claimed |
| US-20260130395-A1 | Water Dispersible Botanical Compositions | AQUILA BLACK LTD (AU) | 2026-05-14 | — | — | US | claimed |
| EP-4728590-A1 | COIN CELL BATTERIES WITH THIN AVERSIVE-AGENT COATING | Energizer Brands, LLC (US) | 2026-04-22 | — | — | EP | claimed |
| EP-4728589-A1 | LITHIUM COIN CELL BATTERIES WITH POLYMER AND AVERSIVE-AGENT COATING LOCATED EXTERIOR TO THE CELL TO AVOID IMPACTING CONDUCTIVITY | Energizer Brands, LLC (US) | 2026-04-22 | — | — | EP | claimed |
| EP-4728588-A1 | COIN CELL BATTERIES WITH AVERSIVE-AGENT COATING | Energizer Brands, LLC (US) | 2026-04-22 | — | — | EP | claimed |
| EP-3955754-B1 | USE OF ISOTHIOCYANATE IN SMOKELESS TOBACCO PRODUCTS | GAMOT GLOBAL PTE LTD (SG) | 2026-03-11 | — | — | EP | claimed |
| CN-120210304-B | Method for improving allyl isothiocyanate conversion rate through enzymatic reaction | 味千食品科技(山东)有限责任公司 | 2026-02-27 | — | — | CN | claimed |
| US-12552931-B2 | Dihydroxy lactam based polymers, compositions and applications thereof | ISP INVESTMENTS LLC (US) | 2026-02-17 | — | — | US | claimed |
| US-4248230-A | System for the cure of internal wounds and inflammation of human body, of the diathesis, of internal wounds and inflammation of ocular apparatus, and for strengthening of healing power of the drugs and brain | MARINELLO ROSOLINO | 1981-02-03 | — | — | US | claimed |
| US-4179526-A | 2-((METHYLTHIO)METHYL)-3-PHENYL-2-PROPENAL | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-12-18 | — | — | US | claimed |
| US-4156029-A | Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-05-22 | — | — | US | claimed |
| US-4073758-A | ADDITION POLYMER WITH NEUTRALIZED, MALEINIZED DRYING OIL ACID SIDE CHAIN | KANSAI PAINT COMPANY, LIMITED (JA) | 1978-02-14 | — | — | US | claimed |
| US-4064279-A | Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-12-20 | — | — | US | claimed |
| US-3985620-A | COVALENTLY-BONDED TO A CARRIER AND DYED WITH A REACTIVE DYESTUFF | BEHRINGWERKE AKTIENGESELLSCHAFT (DT) | 1976-10-12 | — | — | US | claimed |
| US-3977880-A | Direct-positive emulsion containing silver halide grains internally doped with metal ions, surface ripened with gold and sulfur compound and fogged by light exposure | FUJI PHOTO FILM CO., LTD. (JA) | 1976-08-31 | — | — | US | claimed |
| US-3975204-A | ALLYL ISOTHIOCYANATE | VYSOKA SKOLA CHEMICKO-TECHNOLOGICKA (CS) | 1976-08-17 | — | — | US | claimed |
| US-3947570-A | MOUTHWASH, LEMON OIL | COLGATE-PALMOLIVE COMPANY (US) | 1976-03-30 | — | — | US | claimed |
| US-3931219-A | Process for preparing hexahydrothieno[3,4-d]imidazole-2,4-diones | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-01-06 | — | — | US | claimed |