⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23023219 | 0.77 | EPHX1 (0.37) | — | |
| SCHEMBL21092201 | 0.74 | — | — | |
| SCHEMBL21480957 | 0.73 | HTR1B (0.34) | — | |
| SCHEMBL15442826 | 0.73 | EPHX1 (0.36) | — | |
| SCHEMBL19601365 | 0.72 | — | — | |
| SCHEMBL14922433 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL19114894 | 0.71 | EPHX1 (0.46) | — | |
| SCHEMBL25968236 | 0.70 | EPHX1 (0.33) | — | |
| SCHEMBL22386285 | 0.69 | — | — | |
| SCHEMBL18567237 | 0.67 | — | — |
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-2021262743-A1 | PROCESS FOR SYNTHESIZING TARGETING MOLECULES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-12-30 | — | — | WO | disclosed |