SCHEMBL21065699

SCHEMBL21065699

Oc1ccc(C2C#CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 19/20 0.42
ESR1 P03372 7/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL1533239 0.80 ALDH1A1 (0.34) CYP2C9CYP2D6
SCHEMBL8362511 0.74 MEN1 (0.38) CYP2C9CYP2D6
SCHEMBL8359813 0.73 SLC18A3 (0.37) CYP2C9CYP2D6
SCHEMBL8356125 0.73 SLC18A3 (0.37) CYP2C9CYP2D6
SCHEMBL8360449 0.73 SLC18A3 (0.37) CYP2C9CYP2D6
SCHEMBL8358194 0.73 SLC18A3 (0.37) CYP2C9CYP2D6
SCHEMBL8360446 0.73 SLC18A3 (0.37) CYP2C9CYP2D6
SCHEMBL2356297 0.68 HTR3A (0.37)
SCHEMBL4670077 0.67 SLC18A3 (0.35) CYP3A4CYP2C9CYP2D6
SCHEMBL24042571 0.65 KCNN4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101519491-A Process for the preparation of polycarbonates BAYER MATERIALSCIENCE AG 2009-09-02 CN claimed
EP-3728392-A1 METHOD FOR PRODUCING POLYCARBONATE Covestro Deutschland AG (DE) 2020-10-28 EP disclosed
EP-3502160-A1 METHOD FOR MAKING POLYCARBONATE Covestro Deutschland AG (DE) 2019-06-26 EP disclosed
CN-105916908-A Method for producing polycarbonate according to the phase interface method 科思创德国股份有限公司 2016-08-31 CN disclosed
CN-101565501-B Phase Boundary Process for the Preparation of Polycarbonates BAYER MATERIALSCIENCE AG 2013-03-06 CN disclosed
CN-101565501-A Phase Boundary Process for the Preparation of Polycarbonates BAYER MATERIALSCIENCE AG (DE) 2009-10-28 CN disclosed
CN-101519491-A Process for the preparation of polycarbonates BAYER MATERIALSCIENCE AG 2009-09-02 CN disclosed