SCHEMBL30868554

SCHEMBL30868554

C[C@@H](CO)n1nnnc1S

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.33
ALDH1A1 P00352 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
SCHEMBL30868252 1.00 MAP3K5 (0.33) MAP3K5ALDH1A1
SCHEMBL11285321 0.79
SCHEMBL18827428 0.78
Hydrochloric Acid SCHEMBL10837729 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7942980 0.77
SCHEMBL11406316 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11502470 0.77
SCHEMBL29501792 0.75 CYP1A2 (0.31)
SCHEMBL28707628 0.75 CYP1A2 (0.31)
SCHEMBL30868501 0.73 CYP1A2 (0.30)

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-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed