SCHEMBL12475447

SCHEMBL12475447

CCC[C]C(C)C(C)C

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
SCHEMBL9829228 0.73
SCHEMBL12475548 0.73
SCHEMBL9830865 0.69
SCHEMBL12475292 0.69
Fluoride Ion SCHEMBL28423072 0.65 TSHR (0.35)
SCHEMBL12475487 0.65 TSHR (0.39)
SCHEMBL11148095 0.65
Butane SCHEMBL23451934 0.63 TSHR (0.50)
SCHEMBL26316428 0.62 TSHR (0.40)
Fluoride Ion SCHEMBL15738678 0.60 DNM1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131965-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME Valspar Sourcing, Inc. (US) 2017-02-22 EP disclosed
WO-2015160788-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME VALSPAR SOURCING, INC. (US) 2015-10-22 WO disclosed
EP-2883113-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882401-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882658-A1 CONTAINER COATING SYSTEM Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882792-A1 POLYCARBONATES Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882818-A1 STABILIZER AND COATING COMPOSITIONS THEREOF Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
WO-2014025400-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025407-A1 POLYCARBONATES VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025411-A1 CONTAINER COATING SYSTEM VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025410-A1 STABILIZER AND COATING COMPOSITIONS THEREOF VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025406-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
EP-2673326-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING Valspar Sourcing, Inc. (US) 2013-12-18 EP disclosed
EP-2673323-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING Valspar Sourcing, Inc. (US) 2013-12-18 EP disclosed
WO-2012161758-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING VALSPAR SOURCING, INC. (US) 2012-11-29 WO disclosed
WO-2012109278-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING VALSPAR SOURCING, INC. (US) 2012-08-16 WO disclosed