SCHEMBL8039306

SCHEMBL8039306

C=CCOCC(C)OC(C)=O.COCC(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 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
SCHEMBL7744466 0.88 TSHR (0.36) TSHR
SCHEMBL243615 0.86 TSHR (0.42) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL8039300 0.83 TDP1 (0.36) TDP1TSHRCHRM2CHRM4CHRM1
Acetaldehyde SCHEMBL11123828 0.82 TSHR (0.39) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL8039304 0.81 ALDH1A1 (0.36) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL170338 0.80 TSHR (0.38) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL562466 0.80 TSHR (0.38) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL27238624 0.79 CA1 (0.44) TDP1TSHRCA1CA2CA7
SCHEMBL27238622 0.79 CA1 (0.44) TDP1TSHRCA1CA2CA7
SCHEMBL12581244 0.79 CA1 (0.44) TDP1TSHRCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725053-B1 Selected O-quinonediazide sulfonic acid esters of phenolic compounds and their use in radiation-sensitive compositions OLIN MICROELECTRONIC CHEM INC (US) 2000-04-05 EP disclosed
EP-0840170-B1 Selected O-quinonediazide sulfonic acid esters of phenolic compounds OLIN MICROELECTRONIC CHEM INC (US) 2000-04-05 EP disclosed
EP-0840170-A1 Selected O-quinonediazide sulfonic acid esters of phenolic compounds OCG MICROELECTRONIC MATERIALS, INC. (US) 1998-05-06 EP disclosed
US-5602260-A PHOTORESISTS OCG MICROELECTRONIC MATERIALS, INC. (US) 1997-02-11 US disclosed
US-5547814-A PHOTORESISTS OCG MICROELECTRONIC MATERIALS, INC. (US) 1996-08-20 US disclosed
EP-0725053-A1 Selected O-quinonediazide sulfonic acid esters of phenolic compounds and their use in radiation-sensitive compositions OCG MICROELECTRONIC MATERIALS, INC. (US) 1996-08-07 EP disclosed
US-5541033-A PHOTOSENSITIVE COMPOUNDS FOR POSITIVE PHOTORESISTS FORMING PATTERNS OCG MICROELECTRONIC MATERIALS, INC. (US) 1996-07-30 US disclosed
US-5312720-A Development of photosensitive images exposed photoresists OCG MICROELECTRONIC MATERIALS INC. (US) 1994-05-17 US disclosed
US-5278021-A Photoactive compound OCG MICROELECTRONIC MATERIALS, INC. (US) 1994-01-11 US disclosed