SCHEMBL31331224

SCHEMBL31331224

CC(C)OC(C)(O)C(=O)O.[Ti]

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3422574 0.74 TSHR (0.38) TSHRALDH1A1
SCHEMBL852394 0.74 TSHR (0.38) TSHRALDH1A1
SCHEMBL3803899 0.73 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL29283321 0.72 TSHR (0.36) TSHRALDH1A1
SCHEMBL31229139 0.70 TSHR (0.35) TSHRALDH1A1
SCHEMBL28995292 0.70 TSHR (0.35) TSHRALDH1A1
SCHEMBL7263307 0.69 TSHR (0.33) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL27791452 0.69 ALDH1A1 (0.45) TSHRALDH1A1
SCHEMBL9114520 0.68 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL27863100 0.67

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
WO-2025018247-A1 METHOD FOR PRODUCING TITANIUM CHELATING AGENT AND TITANIUM CHELATING AGENT 日本化学工業株式会社 2025-01-23 WO disclosed