SCHEMBL6679131

SCHEMBL6679131

CCCC(=CO)C(=O)OCl

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
TP53 P04637 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL10833602 0.83 TSHR (0.37) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL27677179 0.80 ALDH1A1 (0.37) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL7779633 0.80 ALDH1A1 (0.37) TSHRALDH1A1CES2CES1HDAC3
Ammonia Solution, Strong SCHEMBL28041602 0.78 ALDH1A1 (0.36) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL29167984 0.75 ALDH1A1 (0.33) TSHRALDH1A1CES2CES1HDAC3
SCHEMBL29030388 0.72
SCHEMBL10703085 0.72 RECQL (0.51) TSHRALDH1A1CES2CES1
SCHEMBL10703081 0.72 RECQL (0.51) TSHRALDH1A1CES2CES1
SCHEMBL10999262 0.72
SCHEMBL10713198 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847050-B1 Optical recording medium MITSUBISHI CHEM CORP (JP) 2004-11-17 EP claimed
US-5972457-A COMPRISING TRANSPARENT SUBSTRATE, RECORDING LAYER, REFLECTIVE LAYER, PROTECTIVE LAYER, AND INK-RECEIVING LAYER CONTAINING HYDROPHILIC AND WATER INSOLUBLE FILLER MITSUBISHI CHEMICAL CORPORATION (JP) 1999-10-26 US claimed
EP-0847050-A2 Optical recording medium Mitsubishi Chemical Corporation (JP) 1998-06-10 EP claimed
EP-0847050-B1 Optical recording medium MITSUBISHI CHEM CORP (JP) 2004-11-17 EP disclosed
US-5972457-A COMPRISING TRANSPARENT SUBSTRATE, RECORDING LAYER, REFLECTIVE LAYER, PROTECTIVE LAYER, AND INK-RECEIVING LAYER CONTAINING HYDROPHILIC AND WATER INSOLUBLE FILLER MITSUBISHI CHEMICAL CORPORATION (JP) 1999-10-26 US disclosed
EP-0847050-A2 Optical recording medium Mitsubishi Chemical Corporation (JP) 1998-06-10 EP disclosed