SCHEMBL20394136

SCHEMBL20394136

CCC(C)C.CCC(C)C.CCC(C)C.CCC(CO)(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 5/20 0.37

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
SCHEMBL5907424 0.84 TSHR (0.41) ALDH1A1TSHR
SCHEMBL15026 0.84
SCHEMBL175428 0.84 TSHR (0.41) ALDH1A1TSHR
SCHEMBL4379385 0.84
SCHEMBL10793983 0.81 TSHR (0.35) ALDH1A1TSHR
SCHEMBL5161170 0.81 TSHR (0.39) ALDH1A1TSHR
Water SCHEMBL1898758 0.81 TSHR (0.39) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL15375690 0.81 TSHR (0.39) ALDH1A1TSHR
Hydroxyl Radical SCHEMBL11668726 0.81 TSHR (0.39) ALDH1A1TSHR
Methyl Alcohol SCHEMBL8045235 0.81 TSHR (0.39) ALDH1A1TSHR

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
EP-3351611-A1 REFRIGERATION MACHINE OIL, COMPOSITION FOR REFRIGERATION MACHINES, AND COMPRESSION-TYPE REFRIGERATION MACHINE Idemitsu Kosan Co., Ltd (JP) 2018-07-25 EP disclosed