⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9614314 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL4960768 | 0.79 | — | — | |
| SCHEMBL4268497 | 0.79 | — | — | |
| SCHEMBL561691 | 0.76 | — | — | |
| SCHEMBL8465037 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL28832888 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL686673 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL6567444 | 0.74 | — | — | |
| SCHEMBL10395460 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL6565973 | 0.74 | — | — |
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 297 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115777719-B | Perylene quaternary ammonium salt-graphene composite antibacterial agent and preparation method thereof | 浙江省海洋开发研究院 | 2024-04-19 | — | — | CN | claimed |
| CN-117567235-A | Preparation method of tetrachlorobutane | 中船(邯郸)派瑞特种气体股份有限公司 | 2024-02-20 | — | — | CN | claimed |
| CN-113105350-B | Process for preparing 2-amino-3-alkyl-5-chlorobenzoic acid | 利尔化学股份有限公司 | 2023-11-24 | — | — | CN | claimed |
| WO-2023053744-A1 | METHOD FOR PRODUCING (E)-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE | 株式会社レゾナック | 2023-04-06 | — | — | WO | claimed |
| CN-112745439-B | Polymer solution preparation method and butyl rubber production method | 中国石油化工股份有限公司 | 2022-07-12 | — | — | CN | claimed |
| CN-112745436-B | Solvent recycling method and butyl rubber production method | 中国石油化工股份有限公司 | 2022-07-12 | — | — | CN | claimed |
| CN-113105350-A | Process for preparing 2-amino-3-alkyl-5-chlorobenzoic acid | 利尔化学股份有限公司 | 2021-07-13 | — | — | CN | claimed |
| US-11040931-B2 | Method for producing tetrafluoromethane | SHOWA DENKO K.K. (JP) | 2021-06-22 | — | — | US | claimed |
| CN-112745436-A | Solvent recycling method and butyl rubber production method | 中国石油化工股份有限公司 | 2021-05-04 | — | — | CN | claimed |
| CN-112745439-A | Polymer solution preparation method and butyl rubber production method | 中国石油化工股份有限公司 | 2021-05-04 | — | — | CN | claimed |
| CN-1065520-C | 1,1-difluoro-1,4-dichlorobutane and process for its preparation | ZENECA LTD (GB) | 2001-05-09 | — | — | CN | claimed |
| US-6198012-B1 | UTILIZING CHLORINATED ALUMINA-BASED CATALYST CONTAINING TIN AND PLATINUM IN DEHYDROGENATION OF BUTANE TO BUTENES AND PRODUCTION OF BENZENE, TOLUENE AND XYLENES FROM BUTANE | PHILLIPS PETROLEUM COMPANY | 2001-03-06 | — | — | US | claimed |
| US-6191064-B1 | STEAM TREATMENT OF TIN IMPREGNATED ALUMINA, IMPREGNATING WITH A PLATINUM COMPOUND AND CALCINING, CHLORINATION TO YIELD CHLORINATED CALCINED PLATINUM-CONTAINING TIN ALUMINATE HAVING IMPROVED CATALYST SELECTIVITY | PHILLIPS PETROLEUM COMPANY | 2001-02-20 | — | — | US | claimed |
| US-6013847-A | USING PLATINUM CONTAINING CATALYST IN THE PRESENCE OF WATER AND AN ORGANIC CHLORIDE; ALLEVIATING THE DEACTIVATION OF THE CATALYST CAUSED BY THE PRESENCE OF WATER BY HAVING AT LEAST ONE ORGANIC CHLORINE COMPOUND PRESENT IN THE REACTION MIXTURE | PHILLIPS PETROLEUM COMPANY (US) | 2000-01-11 | — | — | US | claimed |
| CN-1196040-A | 1, 1-difluoro-1, 4-dichlorobutane and preparation method thereof | ZENECA LTD (GB) | 1998-10-14 | — | — | CN | claimed |
| US-5557029-A | ADDITION OF HCL OR ORGANIC CHLORIDE TO PREVENT DEACTIVATION OF CATALYST BY SULFUR IMPURITIES | PHILLIPS PETROLEUM COMPANY (US) | 1996-09-17 | — | — | US | claimed |
| US-5536692-A | PLATINUM, ALUMINUM OXIDE, ALUMINUM CHLORIDES, CHLOROALKANES, TITANIIUM TETRACHLORIDE | PHILLIPS PETROLEUM COMPANY (US) | 1996-07-16 | — | — | US | claimed |
| US-5474964-A | Impregnating alumina with titanium and plantinum compounds, calcining, contacting with organoaluminum chloride;nd chlorinating | PHILLIPS PETROLEUM COMPANY (US) | 1995-12-12 | — | — | US | claimed |
| US-5071943-A | Reacting phenol with the by-products of chlorination of butadiene to recover tetrachlorobutane/1,2,3,4-/ | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | claimed |
| US-3932544-A | CHLORINATION OF 1,4-DICHLORO-BUTENE-2 | PETRO-TEX CHEMICAL CORPORATION (US) | 1976-01-13 | — | — | US | claimed |