⚠ 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 SCHEMBL28958859 | 1.00 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL6697265 | 1.00 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL4877804 | 1.00 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL331366 | 1.00 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL20183932 | 1.00 | — | — | |
| Isothiocyanate SCHEMBL671213 | 1.00 | — | — | |
| Isothiocyanate SCHEMBL3252242 | 1.00 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL330914 | 1.00 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL2149601 | 1.00 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL331891 | 1.00 | ALDH1A1 (0.38) | — |
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
Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025067227-A1 | PREPARATION METHOD FOR CBL-B REGULATOR, AND USE | 浙江华海药业股份有限公司 | 2025-04-03 | — | — | WO | disclosed |
| CN-114874186-B | Glutamine acyl cyclase isozyme inhibitor and preparation method and application thereof | 深圳大学 | 2023-07-11 | — | — | CN | disclosed |
| CN-113929866-B | Modified resin and resin composition | 旭化成株式会社 | 2023-07-07 | — | — | CN | disclosed |
| CN-115052869-A | Substituted thiophenecarboxamides and derivatives thereof | 拜耳公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-114450271-A | Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition | 纽力克斯治疗公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-111205424-B | Modified resin and resin composition | 旭化成株式会社 | 2022-04-08 | — | — | CN | disclosed |
| CN-113929866-A | Modified resin and resin composition | 旭化成株式会社 | 2022-01-14 | — | — | CN | disclosed |
| CN-107629183-B | Modified resin and resin composition | 旭化成株式会社 | 2021-01-05 | — | — | CN | disclosed |
| CN-111205424-A | Modified resin and resin composition | 旭化成株式会社 | 2020-05-29 | — | — | CN | disclosed |
| CN-104725384-B | MTOR kinase inhibitor for tumour indication relevant to mTOR/PI3K/AKT/ approach and disease | 西格诺药品有限公司 | 2019-09-06 | — | — | CN | disclosed |
| US-6562936-B1 | Resin excellent in hydrolysis and heat stability such as a reduction in molecular weight at the time of molding and color retention and moldability such as releasability and transferability, rarely experiences residence deterioration | TEIJIN LIMITED (JP) | 2003-05-13 | — | — | US | disclosed |
| US-6509435-B1 | Heat resistance, stability; moldings | TEIJIN LIMITED (JP) | 2003-01-21 | — | — | US | disclosed |
| CN-1084590-C | Application of bactericide containing isothiocyanate | WIFFU CO LTD (JP) | 2002-05-15 | — | — | CN | disclosed |
| EP-1191049-A1 | POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF | TEIJIN LIMITED (JP) | 2002-03-27 | — | — | EP | disclosed |
| CN-1313030-A | Bactericidal fiber containing isothiocyanate bactericide, and product, film and container thereof | EIFUKU K K (JP) | 2001-09-19 | — | — | CN | disclosed |
| EP-1120435-A1 | APPARATUS AND METHOD FOR PRODUCING RESIN | TEIJIN LIMITED (JP) | 2001-08-01 | — | — | EP | disclosed |
| CN-1046207-C | Method for producing sterile air, freshness-retaining food, bactericidal material and container | MINATO CO LTD (JP) | 1999-11-10 | — | — | CN | disclosed |
| CN-1227714-A | Bactericide containing isothiocyanate, bactericidal fiber and product, film and container thereof | YOSHITOMI PHARMACEUTICAL (JP) | 1999-09-08 | — | — | CN | disclosed |
| CN-1127586-A | A process and an apparatus for preparing a germicidal gas composition, a fumigant and a process for fumigayion | MINATO CO LTD (JP) | 1996-07-31 | — | — | CN | disclosed |
| CN-1054347-A | Method comprising sterilization step, article having sterilization property and its preparation method, fumigant, fumigation method, and sterilizing gas composition, its preparation method and preparation device | MINATO CO LTD (JP) | 1991-09-11 | — | — | CN | disclosed |