SCHEMBL29926359

SCHEMBL29926359

CC(C)(C)CCCCCCCCOCCCCCCCCC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CES2 O00748 2/20 0.31
CES1 P23141 1/20 0.31
HTR1A P08908 2/20 0.31
HTR1B P28222 2/20 0.31
HTR1D P28221 1/20 0.31
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL4451768 1.00 HRH3 (0.47) HRH3MEN1THRBHTTKMT2A
SCHEMBL27805443 1.00 HRH3 (0.47) HRH3MEN1THRBHTTKMT2A
SCHEMBL8462300 0.97 HRH3 (0.48) HRH3MEN1THRBHTTKMT2A
SCHEMBL25939787 0.95 HRH3 (0.44) HRH3MEN1THRBHTTKMT2A
SCHEMBL14586412 0.92 HRH3 (0.46) HRH3MEN1THRBHTTKMT2A
SCHEMBL23014750 0.90 HRH3 (0.42) HRH3MEN1THRBHTTKMT2A
SCHEMBL16491133 0.90 HTT (0.52) HRH3MEN1THRBHTTKMT2A
SCHEMBL13629121 0.90 HRH3 (0.42) HRH3MEN1THRBHTTKMT2A
SCHEMBL12300027 0.90 HTT (0.52) HRH3MEN1THRBHTTKMT2A
SCHEMBL19420781 0.88 HRH3 (0.41) HRH3MEN1THRBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11439997-B2 Neutral complex cleaning solution and regeneration method for denitration catalyst with calcium poisoning TSINGHUA UNIVERSITY (CN) 2022-09-13 US claimed
US-11439997-B2 Neutral complex cleaning solution and regeneration method for denitration catalyst with calcium poisoning TSINGHUA UNIVERSITY (CN) 2022-09-13 US disclosed