⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9718005 | 0.77 | — | — | |
| SCHEMBL22096299 | 0.72 | — | — | |
| SCHEMBL18612369 | 0.69 | — | — | |
| SCHEMBL18811576 | 0.69 | — | — | |
| SCHEMBL9593797 | 0.66 | — | — | |
| SCHEMBL17282631 | 0.62 | — | — | |
| SCHEMBL11680124 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL19143659 | 0.62 | — | — | |
| SCHEMBL3271682 | 0.62 | — | — | |
| SCHEMBL18696307 | 0.60 | — | — |
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-2021080608-A1 | BRANCHED MOIETY FOR USE IN CONJUGATES | MEDIMMUNE, LLC (US) | 2021-04-29 | — | — | WO | disclosed |