SCHEMBL9818650

SCHEMBL9818650

C=C(C)C(N)=O.CCC(OC(C)=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
KCNH2 Q12809 1/20 0.32
TSHR P16473 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL26315 0.87 TSHR (0.40) TDP1KCNH2TSHR
Ammonia Solution, Strong SCHEMBL7710344 0.85 TSHR (0.39) TDP1KCNH2TSHR
SCHEMBL137792 0.79 TSHR (0.39) TSHR
SCHEMBL21722328 0.79 TSHR (0.33) TDP1TSHR
Hydrochloric Acid SCHEMBL1302903 0.78 TSHR (0.38) TSHR
Fluoride SCHEMBL1301660 0.78 TSHR (0.38) TSHR
Iodide SCHEMBL1302850 0.78 TSHR (0.38) TSHR
Bromide SCHEMBL1303250 0.78 TSHR (0.38) TSHR
Acrylamide SCHEMBL8960992 0.77 TSHR (0.34) TSHR
SCHEMBL20001689 0.77 CHRNB2 (0.39) TDP1TSHRCHRNB2CHRNB4CHRNA3

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-0213317-B1 BASE-CATALYZED, LOW TEMPERATURE SELF-CROSSLINKING POLYMERS National Starch and Chemical Investment Holding Corporation (US) 1991-12-04 EP claimed
US-4788267-A CONTAINING HALOHYDRIN MONOMER AND AMINE SALT MONOMER NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-11-29 US claimed
EP-0213317-A2 Base-catalyzed, low temperature self-crosslinking polymers National Starch and Chemical Investment Holding Corporation (US) 1987-03-11 EP claimed