⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11212557 | 0.97 | — | — | |
| SCHEMBL9306682 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL28532347 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL28399729 | 0.76 | — | — | |
| SCHEMBL9402276 | 0.74 | TSHR (0.53) | — | |
| SCHEMBL11797288 | 0.73 | — | — | |
| SCHEMBL180137 | 0.73 | — | — | |
| SCHEMBL6448801 | 0.73 | — | — | |
| SCHEMBL19284195 | 0.73 | — | — | |
| SCHEMBL8681203 | 0.73 | — | — |
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 421 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113874377-A | 1,2, 4-triazolo [1,5-a ] pyrimidine derivatives as copper corrosion inhibitors | 埃科莱布美国股份有限公司 | 2021-12-31 | — | — | CN | claimed |
| CN-111793011-B | Styrene sulfone NLRP3 inflammatory corpuscle inhibitor and preparation method and application thereof | 山东大学 | 2021-08-20 | — | — | CN | claimed |
| CN-112812575-A | Graphene oxide grafted polystyrene high-strength heat-resistant plastic and preparation method thereof | 宁波伟裕工贸有限公司 | 2021-05-18 | — | — | CN | claimed |
| CN-111793011-A | Styrene sulfone NLRP3 inflammatory corpuscle inhibitor and preparation method and application thereof | 山东大学 | 2020-10-20 | — | — | CN | claimed |
| EP-2105457-B2 | Process for the preparation of expandable polystyrene | ARKEMA FRANCE (FR) | 2018-10-24 | — | — | EP | claimed |
| CN-104817453-B | A kind of method synthesizing cyclopropanecarboxylic acid | 大丰跃龙化学有限公司 | 2016-08-31 | — | — | CN | claimed |
| CN-104817453-A | Novel method for synthesizing cyclopropanecarboxylic acid | Dafeng yuelong chemical co ltd | 2015-08-05 | — | — | CN | claimed |
| CN-103974979-A | Modification of polymeric materials by amines | DOW CORNING | 2014-08-06 | — | — | CN | claimed |
| CN-103804201-A | Synthesis method for intermediate 3-aminophenylacetylene of antitumor drug erlotinib | SUZHOU KANGZHENG BIOLOG MEDICINE CO LTD | 2014-05-21 | — | — | CN | claimed |
| CN-101544583-B | Preparation method of (Z) -4- (2-bromovinyl) phenol benzenesulfonate | UNIV TONGJI | 2012-05-23 | — | — | CN | claimed |
| EP-1018525-A1 | Process for preparing polyurethane foam | CK WITCO CORPORATION (US) | 2000-07-12 | — | — | EP | claimed |
| US-6086764-A | Semipermeable encapsulated membranes with improved acid and base stability process for their manufacture and their use | CROSSWINDS, INC. (US) | 2000-07-11 | — | — | US | claimed |
| EP-0942910-A1 | 1,4-DIAZABICYCLO[2.2.2]OCT-2-YLMETHYL DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION | SYNTHELABO (FR) | 1999-09-22 | — | — | EP | claimed |
| WO-1999019276-A2 | MOLECULAR COMPOUNDS HAVING COMPLEMENTARY SURFACES TO TARGETS | ALNIS, LLC (US) | 1999-04-22 | — | — | WO | claimed |
| WO-1998024790-A1 | 1,4-DIAZABICYCLO [2.2.2] OCT-2-YLMETHYL DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION | SYNTHELABO (FR) | 1998-06-11 | — | — | WO | claimed |
| EP-0457725-B1 | Process for the preparation of 2,3-dibromopropionyl chloride | CIBA GEIGY AG (CH) | 1995-03-08 | — | — | EP | claimed |
| US-5344977-A | Bromination of acrylic acid and reaction with thionyl chloride | CIBA-GEIGY CORPORATION (US) | 1994-09-06 | — | — | US | claimed |
| CN-1038569-A | 1,3 of acidylate, 5-three carbonyl-cyclohexane herbicidal composition and antipoisons thereof | ICI AMERICA INC (US) | 1990-01-10 | — | — | CN | claimed |
| EP-0298679-A2 | Herbicidal compositions of acylated 1,3,5-tricarbonyl cyclohexane herbicides and antidotes therefor | ICI AMERICAS INC. (US) | 1989-01-11 | — | — | EP | claimed |
| CN-85101452-A | But proofread and correct sterilization anionic sequestering agent and multivalent metal cation that permeability is used | — | 1987-04-01 | — | — | CN | claimed |