⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9054076 | 0.93 | — | — | |
| SCHEMBL9053554 | 0.84 | — | — | |
| SCHEMBL1289361 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL17922762 | 0.67 | — | — | |
| SCHEMBL2850024 | 0.67 | CYP3A4 (0.44) | — | |
| SCHEMBL17922763 | 0.65 | — | — | |
| SCHEMBL19440105 | 0.65 | — | — | |
| SCHEMBL7343641 | 0.65 | — | — | |
| SCHEMBL7539961 | 0.65 | NOS3 (0.30) | — | |
| SCHEMBL2829402 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996008967-A1 | AQUATIC SURFACE ANTIFOULING COMPOSITIONS | DUKE UNIVERSITY (US) | 1996-03-28 | — | — | WO | claimed |
| WO-1996008967-A1 | AQUATIC SURFACE ANTIFOULING COMPOSITIONS | DUKE UNIVERSITY (US) | 1996-03-28 | — | — | WO | disclosed |