SCHEMBL7565012

SCHEMBL7565012

C=CC(C)C(=O)O.C=CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30

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
Crotonic Acid SCHEMBL7029699 0.88
SCHEMBL14691575 0.83
SCHEMBL22624 0.83
SCHEMBL15867579 0.83
Propionic Acid SCHEMBL29808107 0.82 FFAR3 (0.48) CYP2D6ALDH1A1SLC6A2SLC6A4BLM
Bicarbonate SCHEMBL15173574 0.81 TP53 (0.40) CYP2D6ALDH1A1SLC6A2SLC6A4BLM
Ethylene SCHEMBL12984324 0.81
Ethane SCHEMBL2819680 0.78
Methyl Alcohol SCHEMBL27881604 0.78
SCHEMBL9335555 0.78 ALDH1A1 (0.53) CYP2D6ALDH1A1ALOX15SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231889-A2 DIRECT HAIR DYES AND USE THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2002-08-21 EP disclosed
EP-1212031-A1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-06-12 EP disclosed
EP-1212032-A2 NEW DIRECT HAIR COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-06-12 EP disclosed
WO-2001026615-A2 DIRECT HAIR DYES CONTAINING A HYDROXYANTHROQUINONE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-04-19 WO disclosed
WO-2001021143-A1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-29 WO disclosed
WO-2001021144-A2 NEW DIRECT HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-29 WO disclosed
EP-0988022-A1 HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-03-29 EP disclosed
EP-0971681-A1 MEANS AND METHOD FOR DYING AND COLORING KERATIN FIBERS Hans Schwarzkopf GmbH & Co. KG (DE) 2000-01-19 EP disclosed
US-5882841-A ULTRAHIGH CONTRAST, STORAGE STABILITY, UNIFORMITY, POLYMER PARTICLES CONTAINING A HYDRAZINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-03-16 US disclosed
WO-1999007334-A1 HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-18 WO disclosed
WO-1998038976-A1 MEANS AND METHOD FOR DYING AND COLORING KERATIN FIBERS HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-09-11 WO disclosed
EP-0317983-B1 Silver halide color photographic material FUJI PHOTO FILM CO LTD (JP) 1994-06-01 EP disclosed
US-5100771-A SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL WITH WATER INSOLUBLE ORGANIC SOLVENT SOLUBLE POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1992-03-31 US disclosed
US-5047314-A Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1991-09-10 US disclosed
EP-0317983-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-31 EP disclosed