⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL60414 | 1.00 | — | — | |
| SCHEMBL30367936 | 1.00 | — | — | |
| SCHEMBL2420176 | 1.00 | — | — | |
| Leucine SCHEMBL20362356 | 0.83 | — | — | |
| D-Leucine SCHEMBL42012 | 0.83 | — | — | |
| Leucine SCHEMBL25241602 | 0.83 | SLC7A5 (1.00) | — | |
| Leucine SCHEMBL331557 | 0.83 | SLC7A5 (1.00) | — | |
| Leucine SCHEMBL8568063 | 0.83 | SLC7A5 (1.00) | — | |
| Leucine SCHEMBL2478164 | 0.83 | SLC7A5 (1.00) | — | |
| Leucine SCHEMBL3888 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9243037-B2 | Gramicidin a mutants that function as antibiotics with improved solubility and reduced toxicity | TRUSTEES OF BOSTON COLLEGE (US) | 2016-01-26 | — | — | US | disclosed |
| US-20150239936-A1 | GRAMICIDIN A MUTANTS THAT FUNCTION AS ANTIBIOTICS WITH IMPROVED SOLUBILITY AND REDUCED TOXICITY | TRUSTEES OF BOSTON COLLEGE | 2015-08-27 | — | — | US | disclosed |