SCHEMBL8169446

SCHEMBL8169446

CCC1(C)CNCCN1O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.31
SOS2 Q07890 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL14376982 0.77
SCHEMBL8655455 0.77 SOS1 (0.32) SOS1SOS2TSHR
SCHEMBL28270503 0.77 SOS1 (0.45) SOS1SOS2TSHR
SCHEMBL25263941 0.75 TSHR (0.34) SOS1SOS2TSHR
SCHEMBL8658565 0.75 SOS1 (0.31) SOS1SOS2TSHR
SCHEMBL28736214 0.73
SCHEMBL29488154 0.73
SCHEMBL27406936 0.71
SCHEMBL13984539 0.69
SCHEMBL28736185 0.69

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-6080831-A OBTAINED BY REACTION OF SPECIFIED DIISOCYANATES CONTAINING CARBAMATE GROUPS, POLYISOCYANATES, POLYOXYETHYLENE GLYCOLS OPTIONALLY CONTAINING ESTERS, AND OPTIONALLY AMINES HAVING A GROUP REACTIVE TOWARDS ISOCYANATES; WET STRENGTH TO PAPER BAYER AKTIENGESELLSHAFT (DE) 2000-06-27 US disclosed