SCHEMBL29644640

SCHEMBL29644640

C=CC(=O)OC(CCCCC)(OCC)OC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
THRB P10828 2/20 0.39
THRA P10827 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
FDPS P14324 8/20 0.34
GGPS1 O95749 5/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9359065 0.90 TSHR (0.50) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL29898193 0.83 TSHR (0.49) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL13899889 0.83 TSHR (0.39) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL4904711 0.80 THRB (0.40) TSHRHPGDTHRB
SCHEMBL28850976 0.79 MEN1 (0.37) TSHRMEN1MAPTKMT2AATM
SCHEMBL29073795 0.78 TSHR (0.40) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL11032506 0.77 TSHR (0.48) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL31008754 0.77 TSHR (0.48) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL3243172 0.77 TSHR (0.48) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL11502062 0.77 TSHR (0.46) TSHRHPGDTHRBATM

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
US-20230331956-A1 SULFIDE-CONTAINING STABILIZER SYSTEM FOR THIOL-ENE AND THIOL-YNE COMPOSITIONS BRUNO BOCK CHEMISCHE FABRIK GMBH & CO. KG (DE) 2023-10-19 US disclosed
EP-4214277-A1 SULFIDE-CONTAINING STABILIZER SYSTEM FOR THIOL-ENE AND THIOL-YNE COMPOSITIONS Bruno Bock GmbH (DE) 2023-07-26 EP disclosed
WO-2022058138-A1 SULFIDE-CONTAINING STABILIZER SYSTEM FOR THIOL-ENE AND THIOL-YNE COMPOSITIONS BRUNO BOCK CHEMISCHE FABRIK GMBH & CO. KG (DE) 2022-03-24 WO disclosed