⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9649209 | 0.78 | — | — | |
| SCHEMBL10812661 | 0.63 | — | — | |
| SCHEMBL8866785 | 0.62 | — | — | |
| SCHEMBL7623581 | 0.62 | — | — | |
| SCHEMBL4419957 | 0.61 | — | — | |
| SCHEMBL5323960 | 0.59 | — | — | |
| SCHEMBL7789403 | 0.58 | — | — | |
| SCHEMBL3450771 | 0.57 | — | — | |
| SCHEMBL2534008 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL18032681 | 0.57 | — | — |
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-20100098630-A1 | Phenazine and Quinoxaline Substituted Amino Acids and Polypeptides | AMBRX, INC. (US) | 2010-04-22 | — | — | US | disclosed |