SCHEMBL4744490

SCHEMBL4744490

CC1=C(C)C(C)C([Ti]CCCN(C)C)=C1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL5607018 0.98
SCHEMBL4743763 0.89
Hydrochloric Acid SCHEMBL5616410 0.87
SCHEMBL4743570 0.77
Hydrochloric Acid SCHEMBL20583808 0.67 NOS3 (0.34) ALDH1A1TSHR
SCHEMBL19014279 0.64 ALDH1A1 (0.33) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL397944 0.62
Bromide SCHEMBL7888000 0.62
SCHEMBL4871183 0.62
SCHEMBL8465110 0.62 HTR2A (0.43) ALDH1A1TSHR

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
WO-2008105546-A1 PRODUCTION PROCESS OF OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 WO disclosed