SCHEMBL22985995

SCHEMBL22985995

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
SLC22A6 Q4U2R8 1/20 0.36
GPR84 Q9NQS5 4/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GABRR1 P24046 2/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL29009582 0.90 TSHR (0.57) TSHRTHRBMAPTLMNAALDH1A1
SCHEMBL13114671 0.87 TSHR (0.57) TSHRSLC22A6GPR84THRBMAPT
SCHEMBL13766097 0.86 TSHR (0.49) TSHRTHRBLMNAALDH1A1
SCHEMBL9498035 0.83 TSHR (0.53) TSHRTHRBLMNAALDH1A1GAA
SCHEMBL1254411 0.82 TSHR (0.52) TSHRTHRBMAPTLMNAALDH1A1
SCHEMBL14932631 0.82 TSHR (0.45) TSHRTHRBLMNAALDH1A1
SCHEMBL8764057 0.81 TSHR (0.50) TSHRTHRBLMNAALDH1A1
Bromide SCHEMBL1252822 0.81 TSHR (0.50) TSHRTHRBMAPTLMNAALDH1A1
SCHEMBL4993413 0.81 TSHR (0.50) TSHRTHRBLMNAALDH1A1
Hydrochloric Acid SCHEMBL1255408 0.81 TSHR (0.50) TSHRTHRBMAPTLMNAALDH1A1

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-20210047448-A1 VINYLIDENE FLUORIDE POLYMER, BINDER COMPOSITION, ELECTRODE MIXTURE, ELECTRODE, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY, AND METHOD FOR PRODUCING ELECTRODE MIXTURE KUREHA CORPORATION (JP) 2021-02-18 US disclosed