SCHEMBL8940602

SCHEMBL8940602

C=C(F)C(=O)OCCC#N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 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
SCHEMBL25237284 0.82 MEN1 (0.39) ALDH1A1TSHRMEN1KMT2A
SCHEMBL2776281 0.81 TSHR (0.36) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL8201724 0.79 THRB (0.43) ALDH1A1TSHRTHRB
SCHEMBL11127704 0.79 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL5159378 0.79 ALDH1A1 (0.35) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL33780 0.79 THRB (0.52) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL16708648 0.79 MEN1 (0.33) ALDH1A1TSHRMEN1KMT2A
Potassium Ion SCHEMBL752380 0.78 ALDH1A1 (0.34) ALDH1A1TSHRMEN1KMT2A
SCHEMBL16708633 0.76 TSHR (0.37) ALDH1A1TSHRMEN1KMT2ATHRB
Acetic Acid SCHEMBL28158415 0.76 THRB (0.48) ALDH1A1TSHRMEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8048720-A None JP disclosed
JP-8194209-A None JP disclosed
JP-8111288-A None JP disclosed
JP-8053402-A None JP disclosed
JP-H08194209-A RESIN DISPERSED LIQUID CRYSTAL ELEMENT SHIN ETSU CHEM CO LTD 1996-07-30 JP disclosed
JP-H08111288-A DISPERSION TYPE EL LAMP AND BINDER MATERIAL SHIN ETSU CHEM CO LTD 1996-04-30 JP disclosed
JP-H0853402-A CYANOETHYL FLUOROACRYLATE SHIN ETSU CHEM CO LTD 1996-02-27 JP disclosed
JP-H0848720-A FLUORINE-CONTAINING ACRYLIC ACID CYANOETHYL ESTER POLYMER SHIN ETSU CHEM CO LTD 1996-02-20 JP disclosed