SCHEMBL7775382

SCHEMBL7775382

C=CC(=O)OC(CCC)OC(=O)C(=C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
THRB P10828 3/20 0.33
THRA P10827 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL1333627 0.93 TSHR (0.41) TSHRHPGDALDH1A1THRBTHRA
SCHEMBL8463629 0.90 TSHR (0.39) TSHRHPGDALDH1A1THRBTP53
SCHEMBL2017922 0.89 TSHR (0.42) TSHRHPGDTHRBTHRA
SCHEMBL9317315 0.89 THRB (0.47) TSHRHPGDALDH1A1THRBTHRA
SCHEMBL544590 0.88 TSHR (0.45) TSHRHPGDALDH1A1THRBTHRA
SCHEMBL142824 0.88 ALDH1A1 (0.46) TSHRALDH1A1THRBCYP3A4
SCHEMBL9850076 0.86 TSHR (0.36) TSHRHPGDALDH1A1THRBTP53
SCHEMBL27813096 0.84 TSHR (0.40) TSHRHPGDALDH1A1THRBTHRA
SCHEMBL8961961 0.82 TSHR (0.41) TSHRHPGDALDH1A1THRBTHRA
SCHEMBL28993876 0.82 ALDH1A1 (0.41) TSHRALDH1A1THRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728339-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2020-10-28 EP disclosed
EP-0764190-B1 TINTING HYDROGEL MATERIALS WITH VAT DYES PILKINGTON BARNES HIND INC (US) 2001-08-16 EP disclosed
EP-0764190-A4 TINTING HYDROGEL MATERIALS WITH VAT DYES PILKINGTON BARNES HIND INC (US) 1998-10-21 EP disclosed
EP-0767735-A4 INCORPORATION OF ADSORBENTS DURING EXTRACTION AND/OR HYDRATION OF HYDROGEL MATERIALS PILKINGTON BARNES HIND INC (US) 1998-05-06 EP disclosed
US-5713460-A SEPARATING UNREACTED MONOMERS AND PARTIALLY REACTED OLIGOMERS FROM HYDRATABLE XEROGEL POLYMER PILKINGTON BARNES HIND, INC. (US) 1998-02-03 US disclosed
EP-0767735-A1 INCORPORATION OF ADSORBENTS DURING EXTRACTION AND/OR HYDRATION OF HYDROGEL MATERIALS PILKINGTON BARNES HIND, INC. (US) 1997-04-16 EP disclosed
EP-0764190-A1 TINTING HYDROGEL MATERIALS WITH VAT DYES PILKINGTON BARNES HIND, INC. (US) 1997-03-26 EP disclosed
US-5534038-A DISSOLVING VAT DYES WITH ETHYLENIC MONOMERS AND OXIDIZING INITIATOR, OXIDATION AND POLYMERIZATION PILKINGTON BARNES HIND, INC. (US) 1996-07-09 US disclosed
US-5494155-A CONTACTING HYDRATABLE XEROGEL POLYMER INTO AQUEOUS SOLUTION OF ABSORBENT SELECTED FROM ACTIVATED CARBON, SILICA GEL AND ORGANIC SOLVENT TO REDUCE CONCENTRATION OF MONOMER AND OLIGOMERS PRESENT AS IMPURITIES PILKINGTON BARNES HIND, INC. (US) 1996-02-27 US disclosed
WO-1996000649-A1 INCORPORATION OF ADSORBENTS DURING EXTRACTION AND/OR HYDRATION OF HYDROGEL MATERIALS PILKINGTON BARNES HIND, INC. (US) 1996-01-11 WO disclosed
WO-1995034605-A1 TINTING HYDROGEL MATERIALS WITH VAT DYES PILKINGTON BARNES HIND, INC. (US) 1995-12-21 WO disclosed
EP-0564583-B1 METHOD FOR TINTING A HYDROPHILIC POLYMER ALLERGAN INC (US) 1995-11-15 EP disclosed
US-5151106-A Mixing a dichlorotriazine reactive polymer and reaction with polymer in the presence of a catalyst and molding to form contact lenses ALLERGAN, INC. (US) 1992-09-29 US disclosed