SCHEMBL6135809

SCHEMBL6135809

[CH2]CCCC.[CH]1CCCCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9763695 0.93 TSHR (0.32) CYP1A2
SCHEMBL3274425 0.91 TSHR (0.36)
SCHEMBL28290807 0.91 TSHR (0.36)
SCHEMBL11641372 0.91 TSHR (0.36)
SCHEMBL1203395 0.91 TSHR (0.36)
SCHEMBL28114572 0.91 TSHR (0.36)
SCHEMBL28251439 0.89
SCHEMBL28217480 0.87
Pentane SCHEMBL6135812 0.84 TSHR (0.44) CYP1A2
Hexane SCHEMBL28208671 0.84 TSHR (0.41) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787282-A Cationic emulsion composition of polyorganosiloxane and preparation method thereof 信越化学工业株式会社 2022-07-22 CN disclosed
EP-1235877-B1 THERMOPLASTIC SILICONE ELASTOMERS BASED ON FLUOROCARBON RESIN DOW CORNING (US) 2005-03-23 EP disclosed