SCHEMBL3978773

SCHEMBL3978773

O=C(O)C1Oc2ccc(F)c(F)c2O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1B1 P15121 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
SCHEMBL27392332 0.79 POLB (0.49) POLBCASP6CES2CES1
SCHEMBL2547829 0.68 POLB (0.69) POLBCASP6AKR1B1
SCHEMBL4962715 0.66 POLB (0.42) POLBCASP6
SCHEMBL21011969 0.65 CA1 (0.40) POLBCASP6
SCHEMBL6978317 0.65 L3MBTL1 (0.35)
Formaldehyde SCHEMBL27560205 0.65 POLB (0.64) POLBCASP6AKR1B1
SCHEMBL10390650 0.62 POLB (0.50) POLBCASP6
SCHEMBL9327125 0.59 POLB (0.56) POLBCASP6
Oxalic Acid SCHEMBL28378762 0.58 CES2 (0.54) CES2CES1
SCHEMBL10911498 0.58

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-116730995-B Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-06-25 CN disclosed
CN-116730995-A Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-09-12 CN disclosed
CN-114933511-B Method for quickly converting carboxyl into aldehyde group 中国科学院兰州化学物理研究所 2023-02-24 CN disclosed
CN-114933511-A Method for quickly converting carboxyl into aldehyde group 中国科学院兰州化学物理研究所 2022-08-23 CN disclosed
EP-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP disclosed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed