SCHEMBL4368222

SCHEMBL4368222

CC(C)=COC=C(C)C.CC(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4366769 0.86 ALDH1A1 (0.47) TSHRALDH1A1ALOX15
SCHEMBL4364058 0.80 ALOX15 (0.56) TSHRALDH1A1ALOX15
SCHEMBL2811099 0.76
SCHEMBL4371562 0.75 TSHR (0.39) TSHR
1,3-Butanediol SCHEMBL4368561 0.73 ALDH1A1 (0.39) ALDH1A1ALOX15TDP1
Fluoride SCHEMBL27823400 0.73
Water SCHEMBL11085514 0.73
SCHEMBL20756 0.72
1,4-Butanediol SCHEMBL4365143 0.72 SMN1; SMN2 (0.38) TSHRALDH1A1
1,6-Hexanediol SCHEMBL4371375 0.70 LMNA (0.41) TSHRALDH1A1

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-20090035696-A1 PHOTORESIST COMPOSITION KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed