SCHEMBL31454787

SCHEMBL31454787

CC(C)(C)ON1CCC(O)(CC2CO2)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1224299 0.77 USP2 (0.46)
SCHEMBL8866515 0.70 L3MBTL1 (0.49) ALDH1A1TSHR
SCHEMBL3243523 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13292022 0.69
SCHEMBL9894101 0.68 CYP2C19 (0.33) ALDH1A1
SCHEMBL3235610 0.68 CYP2C19 (0.33) ALDH1A1
SCHEMBL8766147 0.65 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL29585445 0.64 ESR2 (0.35) ALDH1A1TSHR
SCHEMBL9778790 0.63
SCHEMBL24011271 0.61 PHGDH (0.32) ALDH1A1

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-119708491-A Polydisulfide polymer material containing hydroxy ester group and preparation method thereof 衢州化工新材料创新研究院 2025-03-28 CN claimed
CN-119708491-A Polydisulfide polymer material containing hydroxy ester group and preparation method thereof 衢州化工新材料创新研究院 2025-03-28 CN disclosed