SCHEMBL28600057

SCHEMBL28600057

CC[CH]CC[C@H](C)CCC

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 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
SCHEMBL3885519 1.00 TSHR (0.42) TSHRALDH1A1ALOX15
SCHEMBL3890572 0.85 TSHR (0.39) TSHR
SCHEMBL3898836 0.85 ACE2 (0.36) TSHRALDH1A1ALOX15
SCHEMBL306389 0.82 TSHR (0.40) TSHRALDH1A1ALOX15
SCHEMBL3855605 0.81
SCHEMBL8078301 0.80 TSHR (0.39) TSHRALDH1A1ALOX15
SCHEMBL4977381 0.78 LMNA (0.39) TSHRALDH1A1ALOX15
SCHEMBL9273171 0.77 TSHR (0.40) TSHR
Water SCHEMBL27616963 0.77 TSHR (0.46) TSHRALDH1A1ALOX15
SCHEMBL2000851 0.77 TSHR (0.40) TSHRALDH1A1ALOX15

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
CN-109370703-B Refrigerator oil base oil, preparation method thereof, refrigerator oil, working fluid composition for compressor and compressor 珠海格力节能环保制冷技术研究中心有限公司 2021-07-20 CN disclosed