SCHEMBL4536565

SCHEMBL4536565

CC1=CC=C(C(=O)O)C(C(=O)O)C1(C)[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31

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
SCHEMBL19307730 0.73
SCHEMBL787114 0.72
SCHEMBL2470420 0.70
SCHEMBL11290980 0.69
SCHEMBL15553929 0.66
SCHEMBL7860948 0.64
SCHEMBL10904104 0.62 ACHE (0.31) TSHR
SCHEMBL11595786 0.62 TSHR (0.32) TSHR
SCHEMBL412769 0.62 ALDH1A1 (0.30)
SCHEMBL9460780 0.61

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638027-B1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA SRL (IT) 2016-07-13 EP disclosed
US-8933142-B2 Low-extractable thioxanthones LAMBERTI SPA (IT) 2015-01-13 US disclosed
EP-2638027-A1 LOW-EXTRACTABLE THIOXANTHONES Lamberti SpA (IT) 2013-09-18 EP disclosed
US-20130237628-A1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA S.R.L. (IT) 2013-09-12 US disclosed
WO-2012062692-A1 LOW-EXTRACTABLE THIOXANTHONES LAMBERTI SPA (IT) 2012-05-18 WO disclosed