SCHEMBL16644961

SCHEMBL16644961

[N-]=[N+]=NCc1cc(CCC(=O)O)no1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ KAT2B Q92831 1/20 0.30
▸ TSHR P16473 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
SCHEMBL11661758 0.80 PPARA (0.60) PPARANPSR1MCL1TSHR
SCHEMBL15469204 0.77 CYP1A2 (0.37) NPSR1
SCHEMBL9849248 0.77 PPARA (0.54) PPARANPSR1MCL1TSHR
SCHEMBL27348673 0.75 PPARA (0.52) PPARANPSR1MCL1TSHR
SCHEMBL25623832 0.75 EPHX2 (0.35) PPARA
SCHEMBL9548278 0.75 PPARA (0.52) PPARANPSR1MCL1TSHR
SCHEMBL9849445 0.74 PPARA (0.51) PPARANPSR1TSHR
Ammonia Solution, Strong SCHEMBL9548251 0.73 PPARA (0.50) PPARANPSR1TSHR
SCHEMBL9849579 0.72 PPARA (0.52) PPARANPSR1TSHR
SCHEMBL9548297 0.72 PPARA (0.52) PPARANPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3336103-B1 ANTIBODIES COMPRISING MULTIPLE SITE-SPECIFIC NON-NATURAL AMINO ACID RESIDUES, METHODS OF THEIR PREPARATION AND METHODS OF THEIR USE SUTRO BIOPHARMA INC (US) 2021-03-17 — — EP disclosed
EP-3055298-B1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE SUTRO BIOPHARMA INC (US) 2020-04-29 — — EP disclosed
EP-3336103-A1 ANTIBODIES COMPRISING MULTIPLE SITE-SPECIFIC NON-NATURAL AMINO ACID RESIDUES, METHODS OF THEIR PREPARATION AND METHODS OF THEIR USE Sutro Biopharma, Inc. (US) 2018-06-20 — — EP disclosed
WO-2015054658-A1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE SUTRO BIOPHARMA, INC. (US) 2015-04-16 — — WO disclosed
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