SCHEMBL8961566

SCHEMBL8961566

CCCCOC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ ATM Q13315 1/20 0.44
▸ NAAA Q02083 1/20 0.42
▸ CES2 O00748 3/20 0.42
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ FAAH O00519 8/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CES1 P23141 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL196154 0.84 ALDH1A1 (0.54) ALDH1A1ATMNAAACES2TSHR
Ammonia Solution, Strong SCHEMBL27601992 0.82 ALDH1A1 (0.52) ALDH1A1ATMNAAACES2TSHR
SCHEMBL40274 0.81 ALDH1A1 (0.61) ALDH1A1ATMNAAATSHRHPGD
Trifluoroacetic Acid SCHEMBL28238146 0.80 ALDH1A1 (0.50) ALDH1A1ATMNAAACES2TSHR
SCHEMBL27738039 0.79 SOAT1 (0.61) ALDH1A1ATMMEN1KMT2AHSD17B10
SCHEMBL2487392 0.79 ALDH1A1 (0.45) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL4313949 0.79 ALDH1A1 (0.58) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL2363984 0.78 CES2 (0.55) ALDH1A1NAAACES2TSHRFAAH
SCHEMBL28186498 0.77 ALDH1A1 (0.56) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL27811468 0.77 ALDH1A1 (0.56) ALDH1A1ATMNAAATSHRHPGD

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
CN-101663293-B Quinoline-carboxamide derivatives as p2y12 antagonists SANOFI AVENTIS SPA 2013-07-31 — — CN disclosed
CN-101663293-A Quinoline-carboxamide derivatives as p2y12 antagonists SANOFI AVENTIS 2010-03-03 — — CN disclosed
US-5541078-A Antigenic peptide sequence of echinococcus granulosus and diagnostic applications INSTITUT PASTEUR (FR) 1996-07-30 — — US disclosed
EP-0538352-B1 IMMUNOGENIC PEPTIDE SEQUENCE FROM $i(ECHINOCOCCUS GRANULOSUS), DNA SEQUENCE CODING FOR SAID PEPTIDE SEQUENCE, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF PASTEUR INSTITUT (FR) 1996-01-31 — — EP disclosed
EP-0538352-A1 IMMUNOGENIC PEPTIDE SEQUENCE FROM -i(ECHINOCOCCUS GRANULOSUS), DNA SEQUENCE CODING FOR SAID PEPTIDE SEQUENCE, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF. PASTEUR INSTITUT (FR) 1993-04-28 — — EP disclosed
WO-1992001051-A1 IMMUNOGENIC PEPTIDE SEQUENCE FROM ECHINOCOCCUS GRANULOSUS, DNA SEQUENCE CODING FOR SAID PEPTIDE SEQUENCE, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF INSTITUT PASTEUR (FR) 1992-01-23 — — WO disclosed
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