SCHEMBL9041820

SCHEMBL9041820

O=C1OC(=O)c2cc3ccccc3c3cccc1c23

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ HIF1A Q16665 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ HPGD P15428 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ CASP1 P29466 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ TYMS P04818 8/20 0.59
▸ ALOX15 P16050 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MAOA P21397 3/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ MAOB P27338 2/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL10655414 0.84 TYMS (0.56) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL9078978 0.82 TYMS (0.46) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL9080061 0.82 TYMS (0.46) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL1627194 0.81 ALDH1A1 (0.68) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL9077988 0.81 ALDH1A1 (0.44) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL9041055 0.80 TYMS (0.45) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL9078243 0.80 TYMS (0.45) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL20988450 0.79 TYMS (0.61) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL9079545 0.79 CA1 (0.46) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL580216 0.79 CES1 (0.65) ALDH1A1HIF1AHSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238433-A1 AROMATIC AMIDE DISPERSANT LUBRIZOL ADVANCED MATERIALS, INC. 2021-08-05 — — US disclosed
US-20210198500-A1 Aromatic Amide Dispersant LUBRIZOL ADVANCED MATERIALS, INC. 2021-07-01 — — US disclosed
EP-2617578-B1 HEAT-SENSITIVE CHROMOGENIC COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL FORMED USING SAID COMPOSITION YAMAMOTO CHEMICALS INC (JP) 2015-02-25 — — EP disclosed
US-8888906-B2 Heat-sensitive color-developing composition and heat-sensitive recording material comprising the composition YAMAMOTO CHEMICALS, INC. (JP) 2014-11-18 — — US disclosed
US-8888906-B2 Heat-sensitive color-developing composition and heat-sensitive recording material comprising the composition YAMAMOTO CHEMICALS, INC. (JP) 2014-11-18 — — US disclosed
EP-2617578-A1 HEAT-SENSITIVE CHROMOGENIC COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL FORMED USING SAID COMPOSITION Yamamoto Chemicals, Inc. (JP) 2013-07-24 — — EP disclosed
US-20130180430-A1 HEAT-SENSITIVE COLOR-DEVELOPING COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL COMPRISING THE COMPOSITION YAMAMOTO CHEMICALS, INC. (JP) 2013-07-18 — — US disclosed
US-20130180430-A1 HEAT-SENSITIVE COLOR-DEVELOPING COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL COMPRISING THE COMPOSITION YAMAMOTO CHEMICALS, INC. (JP) 2013-07-18 — — US disclosed
US-5585382-A ANTICARCINOGENIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-17 — — US disclosed
CN-1125943-A Diimide polycyclic and heterocyclic chromophores as antitumor agents DU PONT MERCK PHARMA (US) 1996-07-03 — — CN disclosed
EP-0705250-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-10 — — EP disclosed
US-5416089-A Antitumor agent THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-05-16 — — US disclosed
WO-1995000490-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-05 — — WO disclosed
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