SCHEMBL19600934

SCHEMBL19600934

CC(C)CCOP(=S)(OCC(C)C)SCC(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.30
TSHR P16473 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
SCHEMBL2037811 0.91 ALDH1A1 (0.39) ALDH1A1BLMKDM4ETSHR
SCHEMBL27074431 0.80 ALDH1A1 (0.41) ALDH1A1KDM4ETSHR
SCHEMBL27074430 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ETSHR
SCHEMBL29159302 0.76 ALDH1A1 (0.32) ALDH1A1KDM4ETSHR
SCHEMBL20315183 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ETSHR
SCHEMBL9416694 0.73 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL23295113 0.72 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL10039251 0.72 ALDH1A1 (0.35) ALDH1A1KDM4ETSHR
SCHEMBL9306932 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18193268 0.67 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10836975-B2 Refrigerator oil ENEOS CORPORATION (JP) 2020-11-17 US disclosed
US-20170327763-A1 REFRIGERATOR OIL JXTG NIPPON OIL & ENERGY CORPORATION (JP) 2017-11-16 US disclosed
US-20170327763-A1 REFRIGERATOR OIL JXTG NIPPON OIL & ENERGY CORPORATION (JP) 2017-11-16 US disclosed