⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL155172 | 1.00 | — | — | |
| Bromide SCHEMBL31070248 | 0.98 | — | — | |
| Fluoride SCHEMBL27322266 | 0.98 | — | — | |
| SCHEMBL1011863 | 0.93 | POLA1 (0.31) | — | |
| SCHEMBL11181373 | 0.93 | POLA1 (0.31) | — | |
| SCHEMBL5898951 | 0.93 | POLA1 (0.31) | — | |
| SCHEMBL152343 | 0.93 | POLA1 (0.31) | — | |
| SCHEMBL1010916 | 0.93 | POLA1 (0.31) | — | |
| SCHEMBL153538 | 0.93 | POLA1 (0.31) | — | |
| SCHEMBL8372326 | 0.93 | POLA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023001506-A1 | CARBON NANOTUBE COMPOSITE COMPRISING MECHANICAL LIGANDS | NANOCORE APS (DK) | 2023-01-26 | — | — | WO | disclosed |
| WO-2023275051-A1 | RING-OPENING METATHESIS REACTIONS FOR PREPARATION OF CARBON NANOTUBE COMPOSITES | NANOCORE APS (DK) | 2023-01-05 | — | — | WO | disclosed |