SCHEMBL9802001

SCHEMBL9802001

CC1(C)CCCCCC1(N)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9801526 0.97
SCHEMBL9801572 0.92
SCHEMBL30722274 0.72 TSHR (0.41) TSHRCYP2C19ALDH1A1
SCHEMBL10338067 0.72 TSHR (0.35) TSHRCYP2C19ALDH1A1
SCHEMBL10442825 0.72 TSHR (0.35) TSHRCYP2C19ALDH1A1
SCHEMBL9686906 0.72 TSHR (0.35) TSHRCYP2C19ALDH1A1
SCHEMBL4445315 0.71
SCHEMBL17495568 0.71
SCHEMBL8618212 0.71
SCHEMBL15657149 0.71 ALDH1A1 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed