SCHEMBL19012170

SCHEMBL19012170

C=C(C)C(=O)OCC(O)COC(=O)C(C)(CC)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.34
MMP8 P22894 1/20 0.33

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
SCHEMBL8927065 0.90 TSHR (0.49) TSHRTHRB
SCHEMBL12769080 0.86 TSHR (0.45) TSHRTHRB
SCHEMBL25477706 0.84 TSHR (0.47) TSHRTHRBMMP8
SCHEMBL12200469 0.82 MMP8 (0.38) MMP8
SCHEMBL20011644 0.82 TSHR (0.51) TSHRTHRBMMP8
SCHEMBL16329956 0.81 TSHR (0.41) TSHRTHRB
SCHEMBL11964817 0.81 TSHR (0.41) TSHRTHRB
SCHEMBL11957257 0.81 TSHR (0.41) TSHRTHRB
SCHEMBL15699113 0.81 TSHR (0.49) TSHRTHRB
SCHEMBL279041 0.81 TSHR (0.49) TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174869-A1 COMPOSITION, METHOD OF MANUFACTURING COMPOSITION, CURABLE COMPOSITION, CURED FILM, NEAR-INFRARED CUT FILTER, SOLID-STATE IMAGING DEVICE, INFRARED SENSOR, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed