SCHEMBL6553632

SCHEMBL6553632

O=C(O)C#Cc1ccccc1.[CaH2]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
APP P05067 1/20 0.52
VCP P55072 1/20 0.52
FFAR1 O14842 7/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HSP90AA1 P07900 2/20 0.50
AGTR1 P30556 1/20 0.50
PAX8 Q06710 1/20 0.50
TLR9 Q9NR96 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
PAM P19021 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
POLB P06746 1/20 0.43
NLRP3 Q96P20 1/20 0.43

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
Benzene SCHEMBL28174766 0.97 NPSR1 (0.59) NPSR1APPVCPFFAR1NPC1
SCHEMBL68968 0.97 NPSR1 (0.59) NPSR1APPVCPFFAR1NPC1
SCHEMBL9629210 0.95 NPSR1 (0.57) NPSR1APPVCPFFAR1NPC1
SCHEMBL6552221 0.95 NPSR1 (0.57) NPSR1APPVCPFFAR1NPC1
Hydrochloric Acid SCHEMBL1569398 0.95 NPSR1 (0.57) NPSR1APPVCPFFAR1NPC1
SCHEMBL6554023 0.95 NPSR1 (0.63) NPSR1APPVCPFFAR1NPC1
SCHEMBL7611739 0.95 NPSR1 (0.57) NPSR1APPVCPFFAR1NPC1
SCHEMBL2281388 0.95 NPSR1 (0.57) NPSR1APPVCPFFAR1NPC1
SCHEMBL28226784 0.95 NPSR1 (0.57) NPSR1APPVCPFFAR1NPC1
Ammonia Solution, Strong SCHEMBL20473393 0.95 NPSR1 (0.57) NPSR1APPVCPFFAR1NPC1

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-6420083-B1 EXCELLENT SENSITIVITY; DOES NOT REQUIRE WET DEVELOPMENT; HYDROPHILIC GROUPS IN POLYMER COORDINATE WITH THE POLYVALENT METAL CATION RELEASED BY HEAT AND FORM A HYDROPHOBIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 2002-07-16 US claimed
EP-1046496-A1 Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 2000-10-25 EP claimed
EP-1046496-B1 Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates FUJI PHOTO FILM CO LTD (JP) 2004-02-18 EP disclosed
US-6420083-B1 EXCELLENT SENSITIVITY; DOES NOT REQUIRE WET DEVELOPMENT; HYDROPHILIC GROUPS IN POLYMER COORDINATE WITH THE POLYVALENT METAL CATION RELEASED BY HEAT AND FORM A HYDROPHOBIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 2002-07-16 US disclosed
EP-1046496-A1 Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 2000-10-25 EP disclosed