⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18028045 | 0.84 | — | — | |
| SCHEMBL26192652 | 0.81 | — | — | |
| SCHEMBL26759985 | 0.81 | — | — | |
| SCHEMBL17274214 | 0.78 | — | — | |
| SCHEMBL17274222 | 0.73 | — | — | |
| SCHEMBL15028484 | 0.71 | BMP1 (0.30) | — | |
| SCHEMBL18028046 | 0.71 | NEU4 (0.32) | — | |
| SCHEMBL13881437 | 0.71 | NEU4 (0.32) | — | |
| SCHEMBL13905560 | 0.70 | ACE (0.42) | — | |
| SCHEMBL23747679 | 0.69 | CTSL (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015051030-A2 | STABILIZED POLYPEPTIDES AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-04-09 | — | — | WO | disclosed |