SCHEMBL5617853

SCHEMBL5617853

CC(C)C(C=O)CO

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
SCHEMBL2738533 0.78
SCHEMBL14359833 0.78 TSHR (0.42)
SCHEMBL16486264 0.74 AKR1B1 (0.40)
SCHEMBL404116 0.74 AKR1B1 (0.40)
SCHEMBL7625680 0.73 AKR1B1 (0.43)
SCHEMBL270568 0.73
SCHEMBL28205833 0.73
SCHEMBL14211014 0.73
SCHEMBL14360192 0.72 AKR1B1 (0.32)
SCHEMBL8939159 0.71

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309746-B2 Polymers containing silane WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2007-12-18 US disclosed
EP-1549682-B1 POLYMERS CONTAINING SILANE WACKER POLYMER SYSTEMS GMBH (DE) 2005-12-07 EP disclosed
US-20050182223-A1 Polymers containing silane WACKER CHEMIE AG (DE) 2005-08-18 US disclosed
EP-1549682-A1 POLYMERS CONTAINING SILANE Wacker Polymer Systems GmbH & Co. KG (DE) 2005-07-06 EP disclosed
US-20040266855-A1 3-(4,5,6,7-tetrahydroindol-2-ylmethylidiene)-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2004-12-30 US disclosed
US-6777417-B2 ANTICANCER AGENTS SUGEN, INC. 2004-08-17 US disclosed
EP-1436259-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS Liang, Congxin (US) 2004-07-14 EP disclosed
WO-2004013187-A1 POLYMERS CONTAINING SILANE WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2004-02-12 WO disclosed
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2003-06-26 US disclosed
WO-2003022815-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-03-20 WO disclosed
US-4060677-A Process for molecular weight lowering of vinyl halide polymers employing saturated carbon to carbon bonded aldehydes HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-11-29 US disclosed
US-4046883-A Fungicidal compositions based on polyimides of phosphorus and method of treating plants therewith PHILAGRO S.A. (FR) 1977-09-06 US disclosed