⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25565100 | 0.88 | CTSK (0.30) | — | |
| SCHEMBL18494037 | 0.83 | CA1 (0.33) | — | |
| SCHEMBL21540295 | 0.83 | TGFBR1 (0.32) | — | |
| SCHEMBL10166039 | 0.83 | HDAC7 (0.35) | — | |
| SCHEMBL13707923 | 0.83 | TGFBR1 (0.32) | — | |
| SCHEMBL24221392 | 0.83 | HDAC7 (0.35) | — | |
| SCHEMBL19371532 | 0.83 | CA1 (0.33) | — | |
| SCHEMBL12766316 | 0.82 | TGFBR1 (0.34) | — | |
| SCHEMBL13213430 | 0.82 | TGFBR1 (0.34) | — | |
| SCHEMBL21216094 | 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-20170298097-A1 | Peptide Derivatives and Uses Thereof | NOSOPHARM (FR) | 2017-10-19 | — | — | US | disclosed |