⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14948150 | 0.86 | — | — | |
| SCHEMBL14944841 | 0.82 | ADRB2 (0.32) | — | |
| SCHEMBL13972053 | 0.80 | MME (0.32) | — | |
| SCHEMBL13971705 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL5666549 | 0.65 | PNPO (0.38) | — | |
| SCHEMBL13957303 | 0.64 | ADRA2C (0.48) | — | |
| SCHEMBL17385607 | 0.62 | ADRB2 (0.57) | — | |
| SCHEMBL24253076 | 0.61 | TP53 (0.43) | — | |
| SCHEMBL14572731 | 0.61 | TP53 (0.43) | — | |
| SCHEMBL21844003 | 0.61 | TP53 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10000555-B2 | Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus | SEATTLE GENETICS, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| US-20090018086-A1 | Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus | SEATTLE GENETICS, INC. (US) | 2009-01-15 | — | — | US | disclosed |