⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9526292 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL8754749 | 0.78 | LMNA (0.36) | — | |
| SCHEMBL9292846 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL11320162 | 0.74 | — | — | |
| SCHEMBL6448611 | 0.72 | — | — | |
| SCHEMBL6256220 | 0.70 | CYP1A2 (0.35) | — | |
| SCHEMBL11361526 | 0.69 | MEN1 (0.37) | — | |
| SCHEMBL7093264 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL11684387 | 0.68 | CYP1A2 (0.46) | — | |
| SCHEMBL6511999 | 0.66 | KMT2A (0.38) | — |
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-0449975-B1 | NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS | BATTELLE MEMORIAL INSTITUTE (US) | 1997-04-23 | — | — | EP | claimed |