SCHEMBL7212969

SCHEMBL7212969

C=CC(=O)O[n+]1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 5/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
AKT1 P31749 1/20 0.32
HSD17B10 Q99714 1/20 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
Hydrochloric Acid SCHEMBL9656022 0.98 THRB (0.34) THRBLMNATSHRALDH1A1TP53
SCHEMBL5875138 0.81 KDM4E (0.32) HSD17B10
SCHEMBL1968073 0.81 KDM4E (0.32) HSD17B10
SCHEMBL8968148 0.72 HTT (0.34) ALDH1A1
SCHEMBL5874788 0.72
SCHEMBL5875157 0.72
SCHEMBL28739925 0.70 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL28981509 0.69 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL936386 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1505860 0.69 MEN1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060537-A1 Ink jet ink composition comprising inter-color bleed additive and printing processes using the same XEROX CORPORATION 2003-03-27 US claimed
WO-2024216342-A1 A RECHARGEABLE LITHIUM METAL CELL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2024-10-24 WO disclosed
US-20030060537-A1 Ink jet ink composition comprising inter-color bleed additive and printing processes using the same XEROX CORPORATION 2003-03-27 US disclosed
US-5206113-A Photocurable HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed