⚠ 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL4002 | 1.00 | — | — | |
| Isothiocyanate SCHEMBL331482 | 1.00 | — | — | |
| Isothiocyanate SCHEMBL8940171 | 1.00 | ALDH1A1 (0.43) | — | |
| Isothiocyanate SCHEMBL331891 | 0.93 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL550842 | 0.93 | — | — | |
| Isothiocyanate SCHEMBL20183932 | 0.93 | — | — | |
| Isothiocyanate SCHEMBL191111 | 0.93 | — | — | |
| Isothiocyanate SCHEMBL1534323 | 0.93 | — | — | |
| Isothiocyanate SCHEMBL6013846 | 0.93 | — | — | |
| Isothiocyanate SCHEMBL22204423 | 0.93 | — | — |
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 3140 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-20240215572-A1 | ANTIMICROBIAL PARTICLE DISPERSION | MITSUBISHI PENCIL COMPANY, LIMITED (JP) | 2024-07-04 | — | — | US | claimed |
| CN-117164815-A | Preparation method and application of high-transmittance shape memory elastic polyurethane film | 苏州易昇光学材料股份有限公司 | 2023-12-05 | — | — | CN | claimed |
| WO-2023205649-A1 | CROSSLINKED ORGANOGELS FOR DRUG DELIVERY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2023-10-26 | — | — | WO | claimed |
| US-20230331892-A1 | Lipophilic Polyurethane Organogels | TECHNOLOGY, MASSACHUSETTS IO | 2023-10-19 | — | — | US | claimed |
| CN-114411187-B | Nitrogen-sulfur doped porous carbon electrode material and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-10-17 | — | — | CN | claimed |
| WO-2023186966-A1 | LATE-STAGE CATALYSIS OF FAST ROOM-TEMPERATURE POLYMERIZATIONS | ESSILOR INTERNATIONAL (FR) | 2023-10-05 | — | — | WO | claimed |
| EP-4253019-A1 | LATE-STAGE CATALYSIS OF FAST ROOM-TEMPERATURE POLYMERIZATIONS | Essilor International (FR) | 2023-10-04 | — | — | EP | claimed |
| CN-116836362-A | Polymer containing polymetallic-oxygen cluster, and preparation method and application thereof | 南京大学 | 2023-10-03 | — | — | CN | claimed |
| US-11725222-B2 | Cleavable nucleotide analogs and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-08-15 | — | — | US | claimed |
| WO-2023150010-A2 | METHOD OF STIMULATING DENTIN FORMATION WITH HYDROXY-SUBSTITUTED AZOBENZENE MATERIALS | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2023-08-10 | — | — | WO | claimed |
| EP-0185043-A1 | — | NAT RES DEV | 1986-06-25 | — | — | EP | claimed |
| WO-1985005367-A1 | THERMOSETTING RESIN COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1985-12-05 | — | — | WO | claimed |
| EP-0147761-A2 | Covalently attached complex of alpha-1-proteinase inhibitor with a water soluble polymer | MILES INC. (US) | 1985-07-10 | — | — | EP | claimed |
| US-4496689-A | PULMONARY EMPHYSEMA THERAPY | MILES LABORATORIES, INC. (US) | 1985-01-29 | — | — | US | claimed |
| US-4353809-A | POLYISOCYANATE OR POLYISOTHIOCYANATE AS STABILIZER | FUJI PHOTO FILM CO., LTD. (JP) | 1982-10-12 | — | — | US | claimed |
| US-4196274-A | REACTING A POLYSISCYANATE OR POLYISOTHIOCYANATE WITH A MALEAMIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1980-04-01 | — | — | US | claimed |
| US-4154913-A | ADDITION POLYMER ENDCAPPED WITH POLYISOCYANATE | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1979-05-15 | — | — | US | claimed |
| US-4119589-A | IMMOBILIZING, IMINOCHLORIDE FORMED BY CHLORINATING DI-SECONDARY AMINE | BOEHRINGER MANNHEIM GMBH (DE) | 1978-10-10 | — | — | US | claimed |
| US-4070344-A | WITH POLYISOCYANATE, AMIDE, HYDROLYSIS | THE FIRESTONE TIRE AND RUBBER COMPANY (US) | 1978-01-24 | — | — | US | claimed |
| US-3932318-A | COPOLYMERS WITH ISOCYANATES, CRYOGENIC POLYMERIZATION, NONFLAMMABLE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-01-13 | — | — | US | claimed |