SCHEMBL139661

SCHEMBL139661

COC1(CCC(C)C)C=CC(/C=C/C(=O)O)C=C1

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
SCHEMBL9618133 0.72 HCAR2 (0.32)
SCHEMBL1644936 0.66 TSHR (0.33)
SCHEMBL10638550 0.64 HCAR2 (0.38)
SCHEMBL139662 0.61 KDM4E (0.32)
SCHEMBL4744190 0.61
SCHEMBL6652488 0.61 TSHR (0.40)
Maleic Acid SCHEMBL17604468 0.61 TSHR (0.53)
SCHEMBL8641566 0.60
Maleic Acid SCHEMBL12077760 0.56 TSHR (0.45)
SCHEMBL16831513 0.55 TSHR (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342078-B1 NANOSCALE IR ABSORBER IN MULTILAYER MOLDED BODIES BASF SE (DE) 2016-06-15 EP disclosed
US-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
EP-2430089-B1 HIGH MOLECULAR WEIGHT NON-POLAR BENZOTRIAZOLES BASF SE (DE) 2013-07-31 EP disclosed
EP-2313345-B1 MODIFIED ZINC OXIDE PARTICLES BASF SE (DE) 2013-03-06 EP disclosed
US-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES BASF SE (DE) 2012-03-08 US disclosed
EP-2297242-B1 METHOD FOR HOMOGENEOUS INCORPORATION OF POLYMER PARTICLES INTO POLYMER MATRICES BASF SE (DE) 2012-01-04 EP disclosed
US-20070218089-A1 Aqueous Polymer Dispersion Containing Effect Materials, Method for Production and Use Thereof BASF AKTIENGESELLSCHAFT (DE) 2007-09-20 US disclosed