SCHEMBL28627162

SCHEMBL28627162

CC(C)(C)c1ccc2c(c1C(C)(C)C)-c1ccccc1[CH]2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2045383 0.79 CA2 (0.40) ALDH1A1TSHRTDP1
SCHEMBL3682899 0.75 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL1028544 0.74 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL9121969 0.71 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL8157207 0.70 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL28625579 0.69 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL9121968 0.68
SCHEMBL3907799 0.68 ALDH1A1 (0.48) ALDH1A1TSHRTDP1
SCHEMBL30359261 0.68 ALDH1A1 (0.48) ALDH1A1TSHRTDP1
SCHEMBL3420316 0.68 ALDH1A1 (0.49) ALDH1A1TSHRTDP1

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-113302213-A Catalyst for olefin polymerization and process for producing olefin polymer containing polar group 国立大学法人东京大学 2021-08-24 CN disclosed