⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14077068 | 0.87 | MYC (0.37) | — | |
| SCHEMBL1274356 | 0.76 | LDHA (0.36) | — | |
| SCHEMBL8509616 | 0.74 | — | — | |
| SCHEMBL12334335 | 0.69 | CHRNB2 (0.42) | — | |
| SCHEMBL24816323 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL767783 | 0.62 | — | — | |
| SCHEMBL444311 | 0.59 | LDHA (0.36) | — | |
| SCHEMBL677632 | 0.58 | LDHA (0.37) | — | |
| SCHEMBL7935103 | 0.58 | TDP1 (0.57) | — | |
| SCHEMBL4997379 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0327766-B1 | Redox systems for brain-targeted drug delivery | UNIV FLORIDA (US) | 1998-04-08 | — | — | EP | claimed |