SCHEMBL1398495

SCHEMBL1398495

O=C(O)/C=C/C1CC1

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
SCHEMBL6678007 1.00
SCHEMBL821436 1.00
SCHEMBL892513 1.00 TSHR (0.44)
SCHEMBL8922960 1.00 TSHR (0.44)
SCHEMBL892514 1.00 TSHR (0.44)
SCHEMBL19975304 0.97
SCHEMBL16989792 0.97
SCHEMBL21515073 0.90 TSHR (0.36)
SCHEMBL11845204 0.90 TSHR (0.36)
SCHEMBL2200503 0.90 TSHR (0.36)

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 197 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986702-A Preparation method of carboxyl polysulfide modified rubber composite material 沈阳化工大学 2024-05-07 CN claimed
US-8466212-B2 Process for preparing dental materials having low polymerization shrinkage IVOCLAR VIVADENT AG (LI) 2013-06-18 US claimed
EP-1970042-B1 Use of polymerisable Calix[n]arenes as dental materials IVOCLAR VIVADENT AG (LI) 2011-03-02 EP claimed
US-20100311863-A1 PROCESS FOR PREPARING DENTAL MATERIALS HAVING LOW POLYMERIZATION SHRINKAGE HERAEUS KULZER GMBH (DE) 2010-12-09 US claimed
US-20080058443-A1 Dental materials having low polymerization shrinkage HERAEUS KULZER GMBH (DE) 2008-03-06 US claimed
EP-1261657-B1 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEM CO (US) 2004-11-10 EP claimed
US-20040210030-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HUBBS JOHN CLARK (US) 2004-10-21 US claimed
US-6710206-B2 HEATING TO DEHYDROGENATE AND FORM 3-CYCLOPROPYLACRYLIC ACID; VINYLCYCLOPROPANE AND CYCLOPROPYLACETYLENE PREPARATION EASTMAN CHEMICAL COMPANY 2004-03-23 US claimed
US-20030212294-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HUBBS JOHN CLARK (US) 2003-11-13 US claimed
US-20030208092-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HUBBS JOHN CLARK (US) 2003-11-06 US claimed
JP-2003518519-A 2003-06-10 JP claimed
EP-1261657-A2 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 2002-12-04 EP claimed
WO-2002032843-A2 PROCESS FOR THE PURIFICATION OF CYCLOPROPANECARBOXALDEHYDE EASTMAN CHEMICAL COMPANY (US) 2002-04-25 WO claimed
US-6353140-B1 Process for the purification of cyclopropanecarboxaldehyde EASTMAN CHEMICAL COMPANY 2002-03-05 US claimed
WO-2000068290-A2 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 2000-11-16 WO claimed
EP-1000001-A1 A PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETYLENE Dupont Pharmaceuticals Company (US) 2000-05-17 EP claimed
US-6049019-A Process for the preparation of cyclopropylacetylene DUPONT PHARMACEUTICALS (US) 2000-04-11 US claimed
WO-1999006341-A1 A PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETYLENE DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-11 WO claimed
US-20240308931-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS THE SCRIPPS RESEARCH INSTITUTE 2024-09-19 US disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed