SCHEMBL337193

SCHEMBL337193

CC(C)(C)CCCCC(C(=O)[O-])c1ccccc1.[Hg+]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.46
HDAC7 Q8WUI4 4/20 0.36
HDAC1 Q13547 3/20 0.36
TBXAS1 P24557 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34
ALPG P10696 1/20 0.34

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
SCHEMBL337192 0.97 RIPK1 (0.46) RIPK1HDAC7HDAC1TBXAS1CNR1
SCHEMBL15474468 0.86 RIPK1 (0.50) RIPK1HDAC7HDAC1TBXAS1CNR1
SCHEMBL27741741 0.84 RIPK1 (0.49) RIPK1HDAC7HDAC1TBXAS1CNR1
SCHEMBL1908799 0.82 RIPK1 (0.53) RIPK1TBXAS1CNR1CNR2CYP2C19
SCHEMBL1043346 0.81 ASAH1 (0.47) CNR2POLB
Zinc Ion SCHEMBL15124397 0.78 ASAH1 (0.47) CNR2POLB
SCHEMBL10964444 0.78 CA2 (0.50) CNR2POLB
SCHEMBL3477362 0.74 SOAT2 (0.48) CNR1CNR2HSD17B10
SCHEMBL11746883 0.74 FFAR4 (0.46) TBXAS1HSD17B10MEN1KMT2A
SCHEMBL18554411 0.73 LMNA (0.54) HDAC7HDAC1LMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250161925-A1 USE OF SPECIFIC CATALYSTS FOR THE PREPARATION OF POLYURETHANE COATINGS COVESTRO DEUTSCHLAND AG (DE) 2025-05-22 US disclosed
US-12139447-B2 Method for diisocyanate recovery from distillation residues with bitumen COVESTRO DEUTSCHLAND AG (DE) 2024-11-12 US disclosed
US-20230050973-A1 METHOD FOR RECOVERING DIISOCYANATES FROM DISTILLATION RESIDUES COVESTRO DEUTSCHLAND AG (DE) 2023-02-16 US disclosed
US-20210284603-A1 METHOD FOR EXTRACTING DIISOCYANATES FROM DISTILLATION RESIDUES COVESTRO DEUTSCHLAND AG (DE) 2021-09-16 US disclosed
US-20210276944-A1 METHOD FOR RECOVERING DIISOCYANATES FROM DISTILLATION RESIDUES COVESTRO DEUTSCHLAND AG (DE) 2021-09-09 US disclosed
US-20210024459-A1 METHOD FOR RECOVERING DIISOCYANATES FROM DISTILLATION RESIDUES COVESTRO DEUTSCHLAND AG (DE) 2021-01-28 US disclosed
CN-111886222-A Process for recovering diisocyanates from distillation residues 科思创德国股份有限公司 2020-11-03 CN disclosed
US-8097675-B2 2,2′-MDI-based isocyanate mixtures, polyisocyanate polyaddition products prepared therefrom, processes for making the same and methods for their use BAYER MATERIALSCIENCE AG (DE) 2012-01-17 US disclosed
US-20090247697-A1 2,2'-MDI-BASED ISOCYANATE MIXTURES, POLYISOCYANATE POLYADDITION PRODUCTS PREPARED THEREFROM, PROCESSES FOR MAKING THE SAME AND METHODS FOR THEIR USE BAYER MATERIALSCIENCE AG (DE) 2009-10-01 US disclosed