⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19733465 | 0.87 | HPGD (0.32) | — | |
| SCHEMBL19733637 | 0.83 | MGLL (0.31) | — | |
| SCHEMBL29523817 | 0.82 | — | — | |
| SCHEMBL16281861 | 0.77 | KMT2A (0.31) | — | |
| SCHEMBL21549699 | 0.76 | — | — | |
| SCHEMBL12092211 | 0.76 | — | — | |
| SCHEMBL16330575 | 0.76 | — | — | |
| SCHEMBL21557633 | 0.74 | — | — | |
| SCHEMBL12092231 | 0.73 | — | — | |
| SCHEMBL29635323 | 0.72 | AKT1 (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-20170360952-A1 | BIOMOLECULE CONJUGATES | CELGENE CORPORATION | 2017-12-21 | — | — | US | disclosed |