SCHEMBL6880397

SCHEMBL6880397

C=C(C)C(=O)OCC(COc1ccccc1)OC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
AR P10275 1/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.40
ELANE P08246 1/20 0.39

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
SCHEMBL19944372 0.94 MTNR1A (0.50) MTNR1AMTNR1BARPOLBAPEX1
SCHEMBL15719112 0.91 MTNR1A (0.43) MTNR1AMTNR1BARPOLBAPEX1
SCHEMBL11524298 0.90 MTNR1A (0.43) MTNR1AMTNR1BARPOLBTSHR
SCHEMBL4197201 0.89 MAPT (0.47) MTNR1AMTNR1BARPOLBAPEX1
SCHEMBL28729088 0.89 MTNR1A (0.46) MTNR1AMTNR1BARPOLBAPEX1
SCHEMBL19944473 0.89 LTA4H (0.47) MTNR1AMTNR1BARPOLBHTT
SCHEMBL11957216 0.89 MTNR1A (0.46) MTNR1AMTNR1BPOLBLMNA
SCHEMBL14173309 0.89 AR (0.47) ARPOLBAPEX1HTTTDP1
SCHEMBL14173324 0.89 AR (0.47) ARPOLBAPEX1HTTTDP1
SCHEMBL22417560 0.87 MTNR1A (0.47) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12337043-B2 Curable radiopaque substance MERZ DENTAL GMBH (DE) 2025-06-24 US disclosed
US-20240225962-A9 CURABLE RADIOPAQUE SUBSTANCE MERZ DENTAL GMBH (DE) 2024-07-11 US disclosed
US-20240130933-A1 CURABLE RADIOPAQUE SUBSTANCE MERZ DENTAL GMBH (DE) 2024-04-25 US disclosed
US-11857649-B2 Curable radiopaque substance MERZ DENTAL GMBH (DE) 2024-01-02 US disclosed
US-20210228453-A1 CURABLE RADIOPAQUE SUBSTANCE MERZ DENTAL GMBH (DE) 2021-07-29 US disclosed
EP-3787701-A1 CURABLE RADIOPAQUE SUBSTANCE Merz Dental GmbH (DE) 2021-03-10 EP disclosed
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed