⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL818029 | 0.94 | KCNQ3 (0.30) | — | |
| SCHEMBL3125569 | 0.76 | — | — | |
| SCHEMBL215323 | 0.76 | — | — | |
| Boric Acid SCHEMBL29411346 | 0.76 | CES2 (0.31) | — | |
| Boric Acid SCHEMBL6521324 | 0.76 | CES2 (0.31) | — | |
| Boric Acid SCHEMBL817194 | 0.76 | CES2 (0.31) | — | |
| SCHEMBL5804582 | 0.72 | — | — | |
| SCHEMBL31001034 | 0.72 | CES2 (0.31) | — | |
| SCHEMBL818997 | 0.72 | CES2 (0.31) | — | |
| SCHEMBL7072934 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003064484-A1 | METAL COMPLEX COMPOSITIONS BASED ON COBALT AND THEIR USE AS POLYMERIZATION CATALYST FOR OLEFINS AND DIENES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2003-08-07 | — | — | WO | disclosed |