SCHEMBL10355166

SCHEMBL10355166

CCC(C)(C)OOOC(=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
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
SCHEMBL8506332 0.83 TSHR (0.35) ALDH1A1TSHRTDP1
SCHEMBL22611956 0.80 TSHR (0.36) ALDH1A1TSHRTDP1
SCHEMBL1421409 0.78 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL7729239 0.78 TSHR (0.38) ALDH1A1TSHRTDP1
SCHEMBL5005110 0.77
SCHEMBL8022278 0.77 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL656902 0.77 ELANE (0.33) ALDH1A1TSHRTDP1
SCHEMBL8035769 0.77 MGAM (0.36) ALDH1A1TSHRTDP1
SCHEMBL2337091 0.76 GRM2 (0.34)
SCHEMBL28500303 0.75 ALDH1A1 (0.37) 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
EP-0271462-B1 PERESTERS, THEIR PREPARATION AND USE AS POLYMERIZATION INITIATORS BEROL NOBEL AB (SE) 1990-09-26 EP claimed