SCHEMBL29135526

SCHEMBL29135526

CCC1(COCC2CCC(COCC3(CC)COC3)CC2)COC1.CCC1(COCc2ccc(COCC3(CC)COC3)cc2)COC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL36601 0.88 TSHR (0.38) TSHR
SCHEMBL13721129 0.86 TSHR (0.37) TSHR
SCHEMBL3161401 0.86 TSHR (0.37) TSHR
SCHEMBL26525830 0.86 TSHR (0.31) TSHR
SCHEMBL1780373 0.86 TSHR (0.31) TSHR
Methoxymethane SCHEMBL28253297 0.85 TSHR (0.36) TSHR
SCHEMBL7199075 0.83 TSHR (0.36) TSHR
SCHEMBL686052 0.83 TSHR (0.36) TSHR
SCHEMBL27615158 0.82 AGXT (0.39) TSHR
SCHEMBL18876322 0.82 TSHR (0.38) TSHRCYP3A4SLC6A2SLC6A4SLC6A3

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-113574086-B Photocurable composition, method for producing uneven structure, method for forming fine uneven pattern, and uneven structure 三井化学株式会社 2023-11-07 CN disclosed