⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36403 | 0.97 | — | — | |
| SCHEMBL28907000 | 0.94 | — | — | |
| SCHEMBL4103921 | 0.94 | ALDH1A1 (0.50) | — | |
| SCHEMBL29046882 | 0.94 | — | — | |
| SCHEMBL2726082 | 0.94 | — | — | |
| SCHEMBL6518584 | 0.94 | — | — | |
| SCHEMBL11274376 | 0.94 | — | — | |
| SCHEMBL2205043 | 0.94 | — | — | |
| SCHEMBL16585534 | 0.94 | — | — | |
| SCHEMBL28494994 | 0.94 | ALDH1A1 (0.50) | — |
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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103534029-B | The preparation method of catalyst of high activity double-metal prussiate and the purposes in PPG synthetic thereof | REPSOL, S.A. (ES) | 2016-05-11 | — | — | CN | claimed |
| CN-103534029-A | Process for preparing highly active double metal cyanide catalysts and their use in the synthesis of polyether polyols | REPSOL SA | 2014-01-22 | — | — | CN | claimed |
| CN-102179262-A | Preparation method for double metal cyanide catalyst for polycarbonate synthesis | UNIV HEBEI TECHNOLOGY | 2011-09-14 | — | — | CN | claimed |
| CN-1762592-A | Process for preparation of double metal cyanide (DMC) catalyst | BAYER MATERIALSCIENCE LLC (US) | 2006-04-26 | — | — | CN | claimed |
| CN-110615917-A | Preparation method of polyhydroxy hyperbranched graft modified zeolite and application of polyhydroxy hyperbranched graft modified zeolite in polyvinyl chloride modification | 青岛新材料科技工业园发展有限公司 | 2019-12-27 | — | — | CN | disclosed |
| EP-2543736-B1 | METHOD FOR PRODUCING 1,5-PENTAMETHYLENE DIISOCYANATE | MITSUI CHEMICALS INC (JP) | 2019-10-30 | — | — | EP | disclosed |
| EP-2806026-B1 | METHOD FOR PRODUCING 1,5-PENTAMETHYLENEDIAMINE, MUTANT LYSINE DECARBOXYLASE, METHOD FOR PRODUCING 1,5-PENTAMETHYLENE DIISOCYANATE AND METHOD FOR PRODUCING POLYISOCYANATE COMPOSITION | MITSUI CHEMICALS INC (JP) | 2018-12-26 | — | — | EP | disclosed |
| EP-2527297-B1 | PROCESS FOR PRODUCTION OF ZINC TOLUENESULFONATE, ZINC TOLUENESULFONATE, AND PROCESS FOR PRODUCTION OF CARBAMATE | MITSUI CHEMICALS INC (JP) | 2018-11-21 | — | — | EP | disclosed |
| EP-3029022-B1 | METHOD FOR PRODUCING TRANS-BIS(AMINOMETHYL)CYCLOHEXANE, BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, AND POLYURETHANE RESIN | MITSUI CHEMICALS INC (JP) | 2018-05-16 | — | — | EP | disclosed |
| US-9969675-B2 | Method for producing trans-bis(aminomethyl)cyclohexane, method for producing bis(isocyanatomethyl)cyclohexane, bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, and polyurethane resin | MITSUI CHEMICALS, INC. (JP) | 2018-05-15 | — | — | US | disclosed |
| US-9765369-B2 | Method for producing 1,5-pentamethylenediamine, mutant lysine decarboxylase, method for producing 1,5-pentamethylene diisocyanate and method for producing polyisocyanate composition | MITSUI CHEMICALS, INC. (JP) | 2017-09-19 | — | — | US | disclosed |
| US-9404132-B2 | Method for producing 1,5-pentamethylenediamine, 1,5-pentamethylenediamine, 1,5-pentamethylene diisocyanate, method for producing 1,5-pentamethylene diisocyanate, polyisocyanate composition, and polyurethane resin | MITSUI CHEMICALS, INC. (JP) | 2016-08-02 | — | — | US | disclosed |
| CN-1145373-A | Improved polyether-containing double metal cyanide catalysts | ARCO CHEM TECH (US) | 1997-03-19 | — | — | CN | disclosed |
| CN-1140181-A | Highly active double metal cyanide complex catalysts | ARCO CHEM TECH (US) | 1997-01-15 | — | — | CN | disclosed |
| US-5554787-A | CHEMICAL INTERMEDIATES FOR POLYURETHANES | BASF AKTIENGESELLSCHAFT (DE) | 1996-09-10 | — | — | US | disclosed |
| CN-1111255-A | Polyurethane foam supported double metal cyanide catalysts for polyol synthesis | ARCO CHEM TECH (US) | 1995-11-08 | — | — | CN | disclosed |
| CN-1107482-A | Improved double metal cyanide complex catalysts | ARCO CHEM TECH (US) | 1995-08-30 | — | — | CN | disclosed |
| US-4748226-A | Method of preparation of novel 2-(alkoxymethyl)-pentane-1,5-diisocyanates, 2-(alkoxymethyl)-pentane-1,5-diurethanes, and 2-(alkoxymethyl)-pentane-1,5-dicarbamic acid chlorides and their uses | BASF AKTIENGESELLSCHAFT (DE) | 1988-05-31 | — | — | US | disclosed |
| US-4596679-A | Multiple-step process for the preparation of 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate | BASF AKTIENGESELLSCHAFT (DE) | 1986-06-24 | — | — | US | disclosed |
| US-4497963-A | ETHYLENICALLY UNSATURADED POLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 1985-02-05 | — | — | US | disclosed |