SCHEMBL6659991

SCHEMBL6659991

CCN(CC)C1(CCNCCCCNCCC2(N(CC)CC)CCCCC2)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6657779 0.98 ALDH1A1 (0.32) ALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL6658153 0.98 ALDH1A1 (0.32) ALDH1A1TSHRCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6660359 0.96 ALDH1A1 (0.31) ALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL28150718 0.76 OPRM1 (0.35)
SCHEMBL6657784 0.75 SLC6A5 (0.30)
Hydrochloric Acid SCHEMBL6662243 0.73
SCHEMBL6061606 0.71 LMNA (0.32)
SCHEMBL5828136 0.67 LMNA (0.31) ALDH1A1TSHRCYP1A2
SCHEMBL5827526 0.67 LMNA (0.31) ALDH1A1TSHRCYP1A2
SCHEMBL6656283 0.67 LMNA (0.46)

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-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 EP disclosed