⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20067148 | 0.85 | — | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL30480961 | 0.84 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL26048343 | 0.84 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL26048324 | 0.84 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL220202 | 0.84 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL2382771 | 0.84 | KDM4E (0.33) | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL139789 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL19002186 | 0.81 | — | — | |
| SCHEMBL9474805 | 0.81 | — | — | |
| Snap (S-Nitroso-N-Acetylpenicillamine) SCHEMBL2031234 | 0.79 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020067485-A1 | INDUCER OF CARDIAC ABILITY TO SYNTHESIZE ACETYLCHOLINE | 学校法人日本医科大学 | 2020-04-02 | — | — | WO | disclosed |