SCHEMBL9744980

SCHEMBL9744980

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.32
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL9745644 0.77 MAPK1 (0.33)
SCHEMBL6156243 0.67 TSHR (0.39) CA4LMNATSHRALOX12ACHE
SCHEMBL6151849 0.67 TSHR (0.39) CA4LMNATSHRALOX12ACHE
SCHEMBL5531675 0.65 CA1 (0.41) CA4LMNATSHRALOX12ACHE
SCHEMBL482784 0.61 CA4 (0.41) CA4LMNATSHRALOX12ACHE
SCHEMBL11376071 0.61 CA4 (0.48) CA4LMNATSHRALOX12ACHE
SCHEMBL6152732 0.61 CA4 (0.41) CA4LMNATSHRALOX12ACHE
SCHEMBL6152339 0.61 CA4 (0.41) CA4LMNATSHRALOX12ACHE
SCHEMBL5531479 0.60 LTA4H (0.35) TSHR
SCHEMBL392642 0.60 ALDH1A1 (0.40) CA4LMNATSHRALOX12ACHE

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