SCHEMBL660331

SCHEMBL660331

C1CCC1.C=CC(=O)OCCO

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.86
ALDH1A1 P00352 4/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 3/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 2/20 0.43
ATM Q13315 1/20 0.31
ACHE P22303 1/20 0.31

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
Cyclopropane SCHEMBL11750295 1.00 TSHR (0.86) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14875 0.93
SCHEMBL30363554 0.93 TSHR (1.00) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21630258 0.93 TSHR (1.00) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL8048018 0.91 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL259312 0.91 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene Glycol SCHEMBL8650028 0.91 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL8657697 0.91
Ethylene SCHEMBL8850416 0.91 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2457464 0.91

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-20150268629-A1 PHOTOSENSITIVE COMPOSITION FOR FORMING VOLUME HOLOGRAM RECORDING LAYER DAICEL CORPORATION (JP) 2015-09-24 US disclosed
EP-2908182-A1 PHOTOSENSITIVE COMPOSITION FOR FORMING VOLUME HOLOGRAM RECORDING LAYER Daicel Corporation (JP) 2015-08-19 EP disclosed
US-20150086907-A1 PHOTOSENSITIVE COMPOSITION FOR VOLUME HOLOGRAM RECORDING, VOLUME HOLOGRAM RECORDING MEDIUM USING SAME, METHOD FOR MANUFACTURING VOLUME HOLOGRAM RECORDING MEDIUM, AND HOLOGRAM RECORDING METHOD DAICEL CORPORATION (JP) 2015-03-26 US disclosed
US-20120044550-A1 TRANSMISSION TYPE VOLUME HOLOGRAM RECORDING MEDIUM AND MANUFACTURING METHOD THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
US-4832748-A Coating composition TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-23 US disclosed