SCHEMBL21232243

SCHEMBL21232243

CCC(O)CN(CCN(CC(O)CC)CC(O)CC)CC(C)O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
RECQL P46063 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
SCHEMBL14136244 0.91 TSHR (0.38) TSHRKDM4EKMT2A
SCHEMBL24688602 0.90 TSHR (0.45) TSHRKDM4EKMT2AATMRECQL
SCHEMBL2881639 0.90 TSHR (0.35) TSHRKDM4E
SCHEMBL11194743 0.87 KDM4E (0.33) TSHRKDM4EKMT2A
Edetol SCHEMBL2803498 0.84 TSHR (0.39) TSHRKDM4EKMT2AATMRECQL
Edetol SCHEMBL48412 0.84 TSHR (0.39) TSHRKDM4EKMT2AATMRECQL
SCHEMBL16920239 0.84 HSD17B10 (0.34) TSHRKDM4E
SCHEMBL13007818 0.84 HSD17B10 (0.34) TSHRKDM4E
SCHEMBL16920232 0.82 GGPS1 (0.31) TSHR
SCHEMBL23637548 0.82

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078325-B2 Method of preparing polyurethanes from oligomeric polyol compositions and polyisocyanates PRESIDIUM USA, INC (US) 2021-08-03 US disclosed
US-20190241699-A1 Method of Preparing Polyurethanes From Oligomeric Polyol Compositions and Polyisocyanates PRESIDIUM INNOVATIONS, LLC 2019-08-08 US disclosed