⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19203577 | 1.00 | — | — | |
| SCHEMBL19171171 | 0.93 | — | — | |
| SCHEMBL24722049 | 0.84 | — | — | |
| SCHEMBL21322625 | 0.80 | C3AR1 (0.32) | — | |
| SCHEMBL21322470 | 0.75 | SIRT5 (0.32) | — | |
| SCHEMBL21322629 | 0.74 | C3AR1 (0.34) | — | |
| SCHEMBL10076956 | 0.72 | HPGD (0.31) | — | |
| SCHEMBL19171189 | 0.72 | — | — | |
| SCHEMBL21322486 | 0.72 | — | — | |
| SCHEMBL21534501 | 0.70 | SIRT5 (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 |
|---|---|---|---|---|---|---|---|
| US-20200385402-A1 | Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use | REGENERON PHARMACEUTICALS, INC. | 2020-12-10 | — | — | US | disclosed |