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Valine

Valine

SCHEMBL10883242

CC(C)C[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N.N=C(N)NCCC[C@H](N)C(=O)OC(=O)CN.NC(=O)CC[C@H](N)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.00

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⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Aspartic Acid SCHEMBL11135113 0.97 — —
Valine SCHEMBL10881942 0.89 — —
Leucine SCHEMBL16348676 0.88 NPY4R (0.33) —
SCHEMBL2125107 0.79 NPY4R (0.39) —
Arginine SCHEMBL1930648 0.78 — —
Arginine SCHEMBL16797281 0.77 NPY4R (0.36) —
Arginine SCHEMBL9551434 0.77 GSR (0.37) —
Arginine SCHEMBL17165292 0.76 KDM1A (0.30) —
SCHEMBL1964090 0.76 NPY4R (0.34) —
Glutamine SCHEMBL8204628 0.75 NPY4R (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0101677-B1 ANTIGENIC LINEAR PEPTIDE COMPOUNDS NORTHWESTERN UNIVERSITY (US) 1986-07-09 — — EP disclosed
EP-0101677-A4 ANTIGENIC LINEAR PEPTIDE COMPOUNDS. UNIV NORTHWESTERN (US) 1984-04-17 — — EP disclosed
EP-0101677-A1 ANTIGENIC LINEAR PEPTIDE COMPOUNDS. UNIV NORTHWESTERN (US) 1984-03-07 — — EP disclosed
WO-1983002447-A1 ANTIGENIC LINEAR PEPTIDE COMPOUNDS UNIV NORTHWESTERN (US) 1983-07-21 — — WO disclosed
US-4377516-A ANTIFERTILITY NORTHWESTERN UNIVERSITY (US) 1983-03-22 — — US disclosed
US-4310456-A Antigenic linear peptide compound NORTHWESTERN UNIVERSITY (US) 1982-01-12 — — US disclosed
US-4310456-A Antigenic linear peptide compound NORTHWESTERN UNIVERSITY (US) 1982-01-12 — — US disclosed