SCHEMBL29634994

SCHEMBL29634994

CCC(NCC(C)O)NCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8084410 0.78
SCHEMBL7056728 0.78
SCHEMBL23766613 0.78
SCHEMBL12766136 0.78
SCHEMBL7207274 0.78 TSHR (0.47) TSHRTDP1ALDH1A1
SCHEMBL4667011 0.77 ADH1B (0.33) TSHR
SCHEMBL438321 0.73
SCHEMBL1669422 0.73
SCHEMBL438759 0.73
SCHEMBL1425006 0.73

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-114516954-B Polyether polyol and polyurethane foam 红宝丽集团股份有限公司 2024-08-20 CN disclosed
CN-114516954-A Polyether polyol and polyurethane foam 红宝丽集团股份有限公司 2022-05-20 CN disclosed