SCHEMBL9747987

SCHEMBL9747987

CC(C)(C)[Ti](O[Ti](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 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
SCHEMBL9746393 0.78 KCNN4 (0.31) MAPK1
SCHEMBL9745533 0.75 TSHR (0.35) ALDH1A1ALOX15
SCHEMBL6152339 0.66 CA4 (0.41) ALDH1A1ALOX15MAPK1
SCHEMBL9745908 0.65
SCHEMBL9747470 0.65 MAPK1 (0.33) ALDH1A1ALOX15MAPK1
SCHEMBL9745644 0.65 MAPK1 (0.33) ALDH1A1ALOX15MAPK1
SCHEMBL10615680 0.56 MAPK1 (0.42) ALDH1A1ALOX15MAPK1
SCHEMBL6156243 0.56 TSHR (0.39) ALDH1A1
SCHEMBL6151849 0.56 TSHR (0.39) ALDH1A1
SCHEMBL6152732 0.56 CA4 (0.41) ALDH1A1MAPK1

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
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed