⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14971560 | 0.78 | — | — | |
| SCHEMBL1221578 | 0.75 | — | — | |
| SCHEMBL3419795 | 0.75 | — | — | |
| Trichloroethane SCHEMBL11841296 | 0.73 | — | — | |
| SCHEMBL7041977 | 0.70 | — | — | |
| SCHEMBL24319221 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL23816617 | 0.68 | — | — | |
| Chloromethane SCHEMBL10458728 | 0.67 | — | — | |
| SCHEMBL4829929 | 0.67 | — | — | |
| SCHEMBL515193 | 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
Claimed or disclosed in 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240217992-A1 | RETINOIC ACID RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE | Jiangxi Kerui Pharmaceutical Co., Ltd. (CN) | 2024-07-04 | — | — | US | disclosed |
| US-11874434-B2 | Ophthalmic devices comprising photochromic materials with reactive substituents | JOHNSON & JOHNSON VISION CARE, INC. (US) | 2024-01-16 | — | — | US | disclosed |
| US-11827931-B2 | Methods of preparing growing polynucleotides using nucleotides with 3′ AOM blocking group | ILLUMINA CAMBRIDGE LIMITED (GB) | 2023-11-28 | — | — | US | disclosed |
| CN-111233618-B | Method for preparing chloroethylene compounds by using phosgene | 浙江新和成股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| US-10689391-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-06-23 | — | — | US | disclosed |
| CN-111233618-A | Method for preparing chloroethylene compounds by using phosgene | 浙江新和成股份有限公司 | 2020-06-05 | — | — | CN | disclosed |
| US-10450306-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-10-22 | — | — | US | disclosed |
| EP-3082877-B1 | CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2019-08-28 | — | — | EP | disclosed |
| US-20190194216-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2019-06-27 | — | — | US | disclosed |
| US-10197707-B2 | Ophthalmic devices comprising photochromic materials with reactive sub substituents | JOHNSON & JOHNSON VISION CARE, INC. (US) | 2019-02-05 | — | — | US | disclosed |
| WO-2009051909-A1 | COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-04-23 | — | — | WO | disclosed |
| US-20090072206-A1 | OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS | JOHNSON & JOHNSON VISION CARE, INC. | 2009-03-19 | — | — | US | disclosed |
| US-20090032782-A1 | PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME | TRANSITIONS OPTICAL, INC. (US) | 2009-02-05 | — | — | US | disclosed |
| US-7481955-B2 | Photochromic materials comprising metallocenyl groups | TRANSITIONS OPTICAL, INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-20080225400-A1 | PHOTOCHROMIC MATERIALS AND PHOTOCHROMIC COMPOSITIONS AND ARTICLES INCLUDING THE SAME | TRANSITIONS OPTICAL, INC. (US) | 2008-09-18 | — | — | US | disclosed |
| US-20070278460-A1 | Photochromic materials comprising metallocenyl groups | TRANSITIONS OPTICAL LIMITED (IE) | 2007-12-06 | — | — | US | disclosed |
| US-20070278461-A1 | PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS | TRANSITIONS OPTICAL, INC. (US) | 2007-12-06 | — | — | US | disclosed |
| US-20070278461-A1 | PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS | TRANSITIONS OPTICAL, INC. (US) | 2007-12-06 | — | — | US | disclosed |
| WO-2000015592-A1 | SYNTHESIS AND PURIFICATION OF 3,3-DIMETHYLBUTYRALDEHYDE VIA HYDROLYSIS OF 1,1-DICHLORO-3,3-DIMETHYLBUTANE OR 1-BROMO-1-CHLORO-3,3-DIMETHYLBUTANE | THE NUTRASWEET COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |
| US-5994593-A | Synthesis and purification of 3,3-dimethylbutyraldehyde via hydrolysis of 1,1-dichloro-3,3-dimethylbutane or 1-bromo-1-chloro-3,3-dimethylbutane | THE NUTRASWEET COMPANY (US) | 1999-11-30 | — | — | US | disclosed |