SCHEMBL3619018

SCHEMBL3619018

CC(C)[Ti](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL5839189 0.65 MAPK1 (0.32) MAPK1
SCHEMBL5838295 0.63 MAPK1 (0.31) MAPK1
SCHEMBL5838275 0.63 MAPK1 (0.31) MAPK1
SCHEMBL104001 0.62 ALDH1A1 (0.36)
SCHEMBL23781332 0.60 ALDH1A1 (0.33)
SCHEMBL2399283 0.57 TSHR (0.31)
Isobutane SCHEMBL137281 0.55 ALDH1A1 (0.36) MAPK1
Tert-Butyl Hydroperoxide SCHEMBL10332512 0.52 ALDH1A1 (0.75) MAPK1
SCHEMBL105383 0.52
SCHEMBL4945757 0.52 ALDH1A1 (0.33) MAPK1

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
US-7857990-B2 Calcium hypochlorite composition PPG INDUSTRIES OHIO, INC. (US) 2010-12-28 US disclosed
US-20080067468-A1 CALCIUM HYPOCHLORITE COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2008-03-20 US disclosed