SCHEMBL9615554

SCHEMBL9615554

C=C(C)C(=O)OC[CH]COC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
THRB P10828 1/20 0.48
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
GLO1 Q04760 1/20 0.32
HSD17B10 Q99714 2/20 0.31
LMNA P02545 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
SCHEMBL15007610 0.89 TSHR (0.47) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL2038378 0.89 THRB (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL7057023 0.89 TSHR (0.47) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL5654625 0.85 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1636584 0.85 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1636583 0.85 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL19350263 0.85 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL11412289 0.85 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL289228 0.83
SCHEMBL22017 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106256015-B Function transfer article and function transfer deflector roll 旭化成株式会社 2019-01-11 CN disclosed
US-5096799-A Carboxy grou-containing binder, photoinitiator with lophine dimer, carboxy and ester group-containing compound to prevent discoloration, monomer; storage stable FUJI PHOTO FILM CO., LTD. (JP) 1992-03-17 US disclosed
US-5009986-A Solubility in organic solvents, durability, compatibility with polymers TEIJIN LIMITED (JP) 1991-04-23 US disclosed
EP-0379277-A2 Napthtalocyanine based compound and optical recording medium containing the same TEIJIN LIMITED (JP) 1990-07-25 EP disclosed