⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2547273 | 0.65 | — | — | |
| SCHEMBL20734661 | 0.58 | NOS3 (0.30) | — | |
| SCHEMBL23163117 | 0.57 | KDM4E (0.49) | — | |
| SCHEMBL1056468 | 0.57 | MAP3K14 (0.43) | — | |
| SCHEMBL31384507 | 0.53 | — | — | |
| SCHEMBL11750040 | 0.50 | SIGMAR1 (0.43) | — | |
| SCHEMBL22121326 | 0.50 | — | — | |
| SCHEMBL25330337 | 0.50 | SIGMAR1 (0.32) | — | |
| SCHEMBL9369820 | 0.50 | SIGMAR1 (0.32) | — | |
| SCHEMBL25365 | 0.50 | — | — |
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 |