SCHEMBL18505841

SCHEMBL18505841

BC(C)(C)OCCC(C)(C)OC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL21569203 0.80
SCHEMBL1670116 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTDP1
SCHEMBL24107363 0.76 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL18505827 0.76
SCHEMBL18505818 0.76
SCHEMBL18807388 0.76
SCHEMBL17664767 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL21154354 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL18389109 0.75 ALDH1A1 (0.57) ALDH1A1TSHRTDP1
SCHEMBL13467249 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTDP1

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-9566344-B2 Dasatinib and nonlinear configuration polyethylene glycol conjugate JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2017-02-14 US disclosed