SCHEMBL6565254

SCHEMBL6565254

CC(C)(CO)CC(O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL23716977 0.84 TSHR (0.31) TSHR
SCHEMBL7159046 0.81 TSHR (0.32) TSHR
SCHEMBL7606636 0.79 CYP2C19 (0.31) TSHR
SCHEMBL28595210 0.79 TSHR (0.32) TSHR
SCHEMBL14707183 0.78 TSHR (0.52) TSHR
SCHEMBL26719880 0.78 TSHR (0.46) TSHR
SCHEMBL8528537 0.74
SCHEMBL17994854 0.74
SCHEMBL112219 0.74 HMGCR (0.31) TSHR
SCHEMBL13389339 0.73 TSHR (0.53) TSHR

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
WO-2020203397-A1 AQUEOUS COATING COMPOSITION AND METHOD FOR FORMING MULTILAYERED COATING FILM 関西ペイント株式会社 2020-10-08 WO disclosed
EP-0835891-B1 Water-dispersible blocked isocyanate composition, and water-base paint composition and water base adhesive composition using the same NIPPON POLYURETHANE KOGYO KK (JP) 2004-03-31 EP disclosed
US-6080812-A TRIMERIZING A DIISOCYANATE-DIOL-DIISOCYANATE CONDENSATION PRODUCT TO FORM ISOCYANURATE MACROMOLECULAR MONOMER, REACTING WITH HYDROPHILIC SURFACTANT TO FORM A URETHANE/ISOCYANURATE COPOLYMER, THEN BLOCKING REMAINING ISOCYANATE GROUPS NIPPON POLYURETHANE INDUSTRY C. LTD. (JP) 2000-06-27 US disclosed
US-5998539-A ISOCYANATE BLOCKED WITH AN ALCOHOL NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) 1999-12-07 US disclosed
EP-0835891-A1 Water-dispersible blocked isocyanate composition, and water-base paint composition and water base adhesive composition using the same Nippon Polyurethane Industry Co. Ltd. (JP) 1998-04-15 EP disclosed
EP-0410167-A1 Method of producing 2,2,-dimethyl-3-hydroxypropyl-2,2-dimethyl-3-hydroxypropionate BASF Corporation (US) 1991-01-30 EP disclosed
EP-0284679-A1 Polysiloxane graft copolymers, flexible coating compositions comprising same and branched polysiloxane macromers for preparing same E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-05 EP disclosed