⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27206 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL15282708 | 0.97 | KDM1A (0.31) | — | |
| SCHEMBL3206634 | 0.97 | KDM1A (0.31) | — | |
| SCHEMBL15961451 | 0.97 | KDM1A (0.31) | — | |
| SCHEMBL10709752 | 0.97 | — | — | |
| SCHEMBL3206624 | 0.97 | KDM1A (0.31) | — | |
| SCHEMBL868582 | 0.97 | KDM1A (0.31) | — | |
| SCHEMBL116306 | 0.97 | KDM1A (0.31) | — | |
| SCHEMBL117200 | 0.97 | KDM1A (0.31) | — | |
| SCHEMBL117201 | 0.97 | KDM1A (0.31) | — |
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-1998030535-A1 | AMINO ACID COMPOUNDS | COCKBAIN JULIAN (GB) | 1998-07-16 | — | — | WO | disclosed |