SCHEMBL19624400

SCHEMBL19624400

C=C(C)C(=O)OCCOc1ccc(-c2ccc(OC(=O)C(C)(C)C)cc2)cc1OCCOC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 15/20 0.41
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35

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
SCHEMBL22592354 0.97 ELANE (0.40) ELANEPOLBAPEX1HTTTDP1
SCHEMBL23397388 0.93 POLB (0.38) ELANEPOLBAPEX1HTTTDP1
SCHEMBL23350755 0.93 POLB (0.38) ELANEPOLBAPEX1HTTTDP1
SCHEMBL24170705 0.93 POLB (0.38) ELANEPOLBAPEX1HTTTDP1
SCHEMBL18487848 0.93 POLB (0.38) ELANEPOLBAPEX1HTTTDP1
SCHEMBL16559864 0.89 POLB (0.43) ELANEPOLBAPEX1HTTTDP1
SCHEMBL15180381 0.89 POLB (0.43) ELANEPOLBAPEX1HTTTDP1
SCHEMBL26142346 0.89 ELANE (0.38) ELANEPOLBAPEX1HTTTDP1
SCHEMBL21102080 0.87 POLB (0.43) ELANEPOLBAPEX1HTTTDP1
SCHEMBL16559835 0.87 POLB (0.43) ELANEPOLBAPEX1HTTTDP1

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
EP-3730591-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-10-28 — — EP disclosed
US-10472569-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-11-12 — — US disclosed
EP-3246377-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2017-11-22 — — EP disclosed
Send feedback