SCHEMBL21173252

SCHEMBL21173252

C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(C)(C)C)c(-c3ccc(OC(=O)C(=C)C)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.42
BACE1 P56817 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL24620694 0.92 ELANE (0.36) ELANEBACE1KMT2AATM
SCHEMBL22459231 0.91 BACE1 (0.49) ELANEBACE1KMT2AATM
SCHEMBL17485631 0.91 ELANE (0.49) ELANEBACE1KMT2AATM
SCHEMBL25582670 0.90 ELANE (0.44) ELANEKMT2AATM
SCHEMBL23919388 0.90 ELANE (0.44) ELANEKMT2AATM
SCHEMBL19157352 0.87 ELANE (0.42) ELANE
SCHEMBL21254274 0.87 ELANE (0.42) ELANEKMT2AATM
SCHEMBL20429676 0.87 ELANE (0.45) ELANEBACE1KMT2AATM
SCHEMBL18699565 0.86 ELANE (0.41) ELANEKMT2AATM
SCHEMBL24575151 0.85 ELANE (0.55) ELANEBACE1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-11739266-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-20230002678-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2023-01-05 US disclosed
US-11370969-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2022-06-28 US disclosed
US-20190218457-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-07-18 US disclosed