SCHEMBL11136706

SCHEMBL11136706

[CH2]CCC(C)(C)OCCC(C)(C)OC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL129541 0.85
SCHEMBL369442 0.82 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL13467249 0.81 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL11136735 0.79 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
SCHEMBL9925627 0.79 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL24969000 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL12133043 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL368863 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL24107363 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL11137169 0.77 ALDH1A1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030109-B1 PROCESS FOR PRODUCING ISOPRENE KURARAY CO., LTD. (JP) 1983-10-05 EP disclosed
US-4381416-A Process for producing isoprene KURARAY CO., LTD. (JP) 1983-04-26 US disclosed
EP-0030109-A1 Process for producing isoprene KURARAY CO., LTD. (JP) 1981-06-10 EP disclosed