⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14538073 | 0.80 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL5256191 | 0.78 | — | — | |
| SCHEMBL14780249 | 0.78 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL26091851 | 0.76 | SMN1; SMN2 (0.68) | — | |
| SCHEMBL10015682 | 0.75 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL11769800 | 0.75 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL8611731 | 0.75 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL1264763 | 0.75 | — | — | |
| SCHEMBL3036849 | 0.75 | — | — | |
| SCHEMBL1958588 | 0.74 | SMN1; SMN2 (0.81) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2339014-B1 | Methods and compositions comprising non-natural amino acids | AMBRX INC (US) | 2015-05-27 | — | — | EP | disclosed |