SCHEMBL640238

SCHEMBL640238

C=CNC(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 5/20 0.46
ALDH1A1 P00352 4/20 0.40
APEX1 P27695 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL11122001 0.84 TSHR (0.41) THRBTSHRALDH1A1APEX1EPHX1
SCHEMBL8767187 0.81 ACHE (0.37) THRBALDH1A1EPHX1ACHE
Butadiene SCHEMBL1685979 0.80 THRB (0.63) THRBTSHRALDH1A1APEX1POLB
Propene SCHEMBL7154370 0.80 THRB (0.63) THRBTSHRALDH1A1APEX1POLB
Propene SCHEMBL11112032 0.80 THRB (0.63) THRBTSHRALDH1A1APEX1POLB
Propene SCHEMBL8851515 0.80 THRB (0.63) THRBTSHRALDH1A1APEX1POLB
Propene SCHEMBL672400 0.80 THRB (0.63) THRBTSHRALDH1A1APEX1POLB
Propene SCHEMBL3343927 0.80 THRB (0.63) THRBTSHRALDH1A1APEX1POLB
Propene SCHEMBL156576 0.80 THRB (0.63) THRBTSHRALDH1A1APEX1POLB
Propene SCHEMBL8850806 0.80 THRB (0.63) THRBTSHRALDH1A1APEX1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345773-B2 Water extractable ophthalmic devices BAUSCH & LOMB INCORPORATED (US) 2022-05-31 US disclosed
US-11022722-B2 Water extractable ophthalmic devices BAUSCH & LOMB INCORPORATED (US) 2021-06-01 US disclosed
US-20190352443-A1 WATER EXTRACTABLE OPHTHALMIC DEVICES BAUSCH HEALTH AMERICAS, INC. 2019-11-21 US disclosed
US-8119753-B2 Silicone hydrogels with amino surface groups BAUSCH & LOMB INCORPORATED (US) 2012-02-21 US disclosed
EP-2207852-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS Bausch & Lomb Incorporated (US) 2010-07-21 EP disclosed
WO-2009055226-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-04-30 WO disclosed
US-20090103045-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS SALIX PHARMACEUTICALS, INC. 2009-04-23 US disclosed