SCHEMBL28249672

SCHEMBL28249672

OC1CCC2CCC3CCCCC3C2C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21628145 0.91 MAPT (0.32) TSHRALDH1A1
SCHEMBL9276620 0.91 MAPT (0.32) TSHRALDH1A1
SCHEMBL18434998 0.91 MAPT (0.32) TSHRALDH1A1
SCHEMBL16207199 0.88 TSHR (0.35) TSHRALDH1A1
SCHEMBL11283296 0.84 TSHR (0.32) TSHR
Cyclopentanol SCHEMBL27866581 0.81 TSHR (0.59) TSHRALDH1A1
SCHEMBL11283293 0.81 MAPT (0.32) TSHRALDH1A1
SCHEMBL17538638 0.81 MAPT (0.32) TSHRALDH1A1
SCHEMBL18391716 0.81 MAPT (0.32) TSHRALDH1A1
SCHEMBL4544647 0.81 MAPT (0.32) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108722484-A A kind of composition preparing propargyl ether 四川大学 2018-11-02 CN disclosed