SCHEMBL58309

SCHEMBL58309

[CH2]C(C)CC#N

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL20899748 1.00
SCHEMBL1345692 0.74
SCHEMBL10381398 0.72 TSHR (0.43)
SCHEMBL6968815 0.72
SCHEMBL57648 0.72
SCHEMBL7396397 0.69
SCHEMBL1602702 0.69
SCHEMBL21609593 0.69
SCHEMBL8011686 0.69
SCHEMBL23037491 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 459 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505765-B2 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment CONFLUENCE LIFE SCIENCES INC. (US) 2016-11-29 US claimed
US-20150203499-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT ACLARIS THERAPEUTICS, INC. 2015-07-23 US claimed
WO-2015107133-A1 QUINOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2015-07-23 WO claimed
EP-2885301-A1 AZAINDOLE CARBOXYLIC ACID AMIDES AND AZAINDOLE THIOCARBOXYLIC ACID AMIDES FOR USE AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2015-06-24 EP claimed
WO-2014026984-A1 AZAINDOLE CARBOXYLIC ACID AMIDES AND AZAINDOLE THIOCARBOXYLIC ACID AMIDES FOR USE AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2014-02-20 WO claimed
WO-2014018888-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT CONFLUENCE LIFE SCIENCES INC. (US) 2014-01-30 WO claimed
EP-2683688-A1 INDOLECARBOXAMIDES AND BENZIMIDAZOLECARBOXAMIDES AS INSECTICIDES AND ACARICIDES Bayer Intellectual Property GmbH (DE) 2014-01-15 EP claimed
WO-2012119984-A1 INDOLECARBOXAMIDES AND BENZIMIDAZOLECARBOXAMIDES AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2012-09-13 WO claimed
US-8063234-B2 Substituted 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindoles and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-22 US claimed
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US claimed
EP-2300423-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-30 EP claimed
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 US claimed
WO-2009156072-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 WO claimed
US-20240182755-A1 SILICONE PRESSURE SENSITIVE ADHESIVE COMPOSITION CONTAINING A CYANATE-FUNCTIONAL SILANE ADDITIVE AND METHODS FOR THE PREPARATION AND USE OF SAID COMPOSITION DOW SILICONES CORPORATION 2024-06-06 US disclosed
CN-117480229-A Silicone pressure sensitive adhesive composition containing cyanate ester functionalized silane additive, method for preparing same and use of said composition 美国陶氏有机硅公司 2024-01-30 CN disclosed
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-11-16 US disclosed
US-4460739-A MOISTURE-CURABLE MIXTURE INCLUDING A MALEAMIDYLALKYLTRIALKOXYSILANE GENERAL ELECTRIC COMPANY (US) 1984-07-17 US disclosed
US-4100129-A VULCANIZING SILICONE COMPOSITIONS, CURABLE IN THE PRESENCE OF MOISTURE GENERAL ELECTRIC COMPANY (US) 1978-07-11 US disclosed
US-3962160-A NOVEL ORGANOFUNCTIONAL (KETOXIMINO) SILANES AND ROOM TEMPERATURE, VULCANIZABLE COMPOSITIONS CONTAINING THE SAME GENERAL ELECTRIC COMPANY (US) 1976-06-08 US disclosed
US-3960802-A Process for the manufacture of a one-component room-temperature vulcanizable silicone composition GENERAL ELECTRIC COMPANY (US) 1976-06-01 US disclosed