SCHEMBL28294318

SCHEMBL28294318

CC1CC(C(C)(C)C)CC(C)(C)C1.O=[Ti]=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL8649769 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3825110 0.73 APLNR (0.38) ALDH1A1
SCHEMBL3825105 0.73 APLNR (0.38) ALDH1A1
SCHEMBL24508042 0.72 APLNR (0.33)
SCHEMBL7853210 0.71 NR1I2 (0.33) ALDH1A1
SCHEMBL3783240 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3783239 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL598990 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL597801 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4841081 0.69

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-106575060-B Liquid crystal display element, liquid crystal alignment film, and liquid crystal alignment treatment agent 日产化学工业株式会社 2019-11-29 CN disclosed
CN-105339838-B Liquid crystal indicates element, liquid crystal orientation film and aligning agent for liquid crystal 日产化学工业株式会社 2019-06-07 CN disclosed