SCHEMBL21814546

SCHEMBL21814546

CCCCCCCCCCCCCCNC1=CC(=O)C=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.51
▸ BACE1 P56817 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ GPR84 Q9NQS5 13/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ ADRA2A P08913 1/20 0.36

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
SCHEMBL21818861 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21814442 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21814453 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21814422 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21814424 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21814590 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21818683 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21814446 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21814492 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT
SCHEMBL21814469 1.00 ACHE (0.51) ACHEBACE1ALDH1A1APAF1MAPT

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
EP-3856792-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING Ecolab USA, Inc. (US) 2021-08-04 — — EP claimed
WO-2020068735-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. (US) 2020-04-02 — — WO claimed
US-20200102408-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. 2020-04-02 — — US claimed
US-11312793-B2 Amino-quinone antipolymerants and methods of using ECOLAB USA INC. (US) 2022-04-26 — — US disclosed
US-20200102408-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. 2020-04-02 — — US disclosed
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