SCHEMBL21432856

SCHEMBL21432856

C=C(C)C(=O)OCC(O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ POLB P06746 3/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PPARG P37231 7/20 0.32
▸ PPARA Q07869 6/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ LMNA P02545 2/20 0.32

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
SCHEMBL25118274 0.90 ELANE (0.41) ELANETSHRKMT2AATMPOLB
SCHEMBL18388075 0.89 ELANE (0.43) ELANETSHRKMT2AATMPOLB
SCHEMBL25118292 0.88 ELANE (0.36) ELANETSHRKMT2AATMPOLB
SCHEMBL17091438 0.87 ELANE (0.46) ELANETSHRKMT2AATMPOLB
SCHEMBL18773572 0.83 ELANE (0.38) ELANETSHRKMT2AATMPOLB
SCHEMBL17938235 0.82 TSHR (0.47) ELANETSHRPOLBAPEX1HTT
SCHEMBL18388197 0.82 ELANE (0.46) ELANETSHRKMT2AATMPOLB
SCHEMBL17357021 0.82 ELANE (0.46) ELANETSHRKMT2AATMPOLB
SCHEMBL27254984 0.82 TSHR (0.42) ELANETSHRKMT2AATMPOLB
SCHEMBL25908661 0.81 ELANE (0.39) ELANETSHRKMT2AATMPOLB

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
WO-2023208801-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-11-02 — — WO disclosed
US-11359141-B2 Additives for liquid crystal mixtures MERCK PATENT GMBH (DE) 2022-06-14 — — US disclosed
US-20190300791-A1 ADDITIVES FOR LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2019-10-03 — — US disclosed
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