⚠ 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 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) | — | |
| Isothiocyanate SCHEMBL6577572 | 1.00 | — | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9087110-A | — | — | None | — | — | JP | disclosed |
| JP-11130610-A | — | — | None | — | — | JP | disclosed |
| US-20240100810-A1 | RESIN COMPOSITION, OPTICAL LAMINATE, OPTICAL ARTICLE, LENS AND EYEGLASSES | TOKUYAMA CORPORATION (JP) | 2024-03-28 | — | — | US | disclosed |
| EP-4282932-A1 | RESIN COMPOSITION, OPTICAL LAMINATE, OPTICAL ARTICLE, LENS, AND GLASSES | Tokuyama Corporation (JP) | 2023-11-29 | — | — | EP | disclosed |
| CN-115768746-A | Compound for optical material, curable composition, cured product, and optical article | 株式会社德山 | 2023-03-07 | — | — | CN | disclosed |
| CN-111954691-B | Urethane resin using polyrotaxane and polishing pad | 株式会社德山 | 2022-04-22 | — | — | CN | disclosed |
| EP-3572202-B1 | MOLDED ARTICLE AND METHOD FOR PRODUCING SAME | SUMITOMO CHEMICAL CO (JP) | 2021-08-11 | — | — | EP | disclosed |
| US-10941254-B2 | Molded article and method of producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2021-03-09 | — | — | US | disclosed |
| CN-110167734-B | Molded article and method for producing same | 住友化学株式会社 | 2021-01-08 | — | — | CN | disclosed |
| CN-107207851-B | Method for producing photochromic cured product | 株式会社德山 | 2020-07-17 | — | — | CN | disclosed |
| EP-1016656-A1 | MOLECULAR COMPOUNDS CONTAINING PHENOL DERIVATIVES AS CONSTITUENT | NIPPON SODA CO., LTD. (JP) | 2000-07-05 | — | — | EP | disclosed |
| JP-H11130610-A | INDUSTRIAL GERMICIDE AND INDUSTRIAL STERILIZATION | KATAYAMA CHEM WORKS CO LTD | 1999-05-18 | — | — | JP | disclosed |
| US-5773144-A | FIBERS, FILAMENTS USEFUL FOR RUBBER REINFORCEMENT, ESPECIALLY TIRES | HOECHST CELANESE CORP. (US) | 1998-06-30 | — | — | US | disclosed |
| CN-1036463-C | Aprocess for preparing a resin having a large refractive index | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-11-19 | — | — | CN | disclosed |
| US-5656177-A | IN PAPERMAKING ADDITION OF OIL-IN-WATER EMULSION COMPRISING AN OIL PHASE, AN EMULSIFIER AND WATER, WHERE IN OIL PHASE CONSISTS OF SATURATED OR UNSATURATED, OPEN CHAIN, NORMAL OR ISOMERIC HYDROCARBONS | CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) | 1997-08-12 | — | — | US | disclosed |
| CN-1149066-A | Process for producing finished product of plastic lens | MITSUI TOATSU CHEMICALS (JP) | 1997-05-07 | — | — | CN | disclosed |
| JP-H0987110-A | COMPOSITION CONTAINING 2-THIOCYANOPYRIDINE-1-OXIDE | YOSHITOMI PHARMACEUT IND LTD | 1997-03-31 | — | — | JP | disclosed |
| CN-1098723-A | Preparation has the method for high refractive index resins | MITSUI TOATSU CHEMICALS (JP) | 1995-02-15 | — | — | CN | disclosed |
| CN-1039429-A | Resin having high refractive index, lens comprising the resin, and method for producing the lens | MITSUI TOATSU CHEMICALS (JP) | 1990-02-07 | — | — | CN | disclosed |
| JP-H00987110-A | — | — | 0001-01-01 | — | — | JP | disclosed |