⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13971486 | 0.86 | — | — | |
| SCHEMBL13972053 | 0.79 | MME (0.32) | — | |
| SCHEMBL13971705 | 0.77 | KDM4E (0.35) | — | |
| SCHEMBL5666549 | 0.67 | PNPO (0.38) | — | |
| SCHEMBL31466845 | 0.63 | CYP2C9 (0.43) | — | |
| SCHEMBL27298058 | 0.63 | CYP2C9 (0.43) | — | |
| SCHEMBL28922439 | 0.63 | KDM4E (0.50) | — | |
| SCHEMBL7431162 | 0.62 | ADRA2C (0.57) | — | |
| SCHEMBL7431159 | 0.62 | ADRA2C (0.57) | — | |
| SCHEMBL9656230 | 0.61 | KDM4E (0.45) | — |
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-20130123465-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2013-05-16 | — | — | US | disclosed |