⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL818984 | 0.69 | — | — | |
| SCHEMBL262994 | 0.67 | PYGM (0.35) | — | |
| SCHEMBL28097293 | 0.67 | — | — | |
| Acetic Acid SCHEMBL6749754 | 0.65 | FFAR3 (0.37) | — | |
| SCHEMBL44788 | 0.65 | MAOA (0.32) | — | |
| SCHEMBL6884682 | 0.64 | — | — | |
| SCHEMBL16387368 | 0.63 | — | — | |
| SCHEMBL11346988 | 0.63 | — | — | |
| SCHEMBL10544273 | 0.63 | KMT2A (0.36) | — | |
| SCHEMBL9619936 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8333360-A | — | — | None | — | — | JP | disclosed |
| JP-H08333360-A | PRODUCTION OF NAPHTHAMIDE DERIVATIVE | FUJIREBIO INC | 1996-12-17 | — | — | JP | disclosed |