⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15865603 | 0.87 | — | — | |
| SCHEMBL20117979 | 0.82 | — | — | |
| SCHEMBL8754475 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL598269 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL14218272 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL105389 | 0.72 | — | — | |
| SCHEMBL23686227 | 0.71 | — | — | |
| SCHEMBL12871554 | 0.71 | SIGMAR1 (0.30) | — | |
| SCHEMBL12259598 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL24837117 | 0.70 | LMNA (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-2007100874-A2 | COMPOSITIONS CONTAINING PEPTIDES WITH NON-NATURAL AMINO ACIDS AND METHODS OF USE | AVON PRODUCTS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |