⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14017295 | 1.00 | — | — | |
| SCHEMBL14017308 | 1.00 | — | — | |
| SCHEMBL12994701 | 1.00 | — | — | |
| SCHEMBL10276328 | 1.00 | — | — | |
| SCHEMBL10119624 | 1.00 | — | — | |
| SCHEMBL12363969 | 0.92 | MEN1 (0.32) | — | |
| SCHEMBL14454565 | 0.92 | MEN1 (0.32) | — | |
| SCHEMBL13760305 | 0.89 | MEN1 (0.31) | — | |
| SCHEMBL576767 | 0.81 | — | — | |
| SCHEMBL20624837 | 0.81 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7432087-B2 | Method for preparing (2S, 3R, 4S)-4-hydroxyisoleucine and analogues thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) | 2008-10-07 | — | — | US | disclosed |