⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19171189 | 0.84 | — | — | |
| SCHEMBL10076956 | 0.84 | HPGD (0.31) | — | |
| SCHEMBL21322486 | 0.83 | — | — | |
| SCHEMBL19450560 | 0.83 | — | — | |
| SCHEMBL18723291 | 0.83 | — | — | |
| SCHEMBL18868578 | 0.82 | — | — | |
| SCHEMBL21558321 | 0.82 | — | — | |
| SCHEMBL20283890 | 0.82 | — | — | |
| SCHEMBL22906189 | 0.81 | AKT1 (0.30) | — | |
| SCHEMBL24983658 | 0.80 | HPGD (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3273998-B1 | MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE | REGENERON PHARMA (US) | 2019-09-04 | — | — | EP | disclosed |