⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30198493 | 0.86 | LMNA (0.31) | — | |
| SCHEMBL30619851 | 0.84 | — | — | |
| SCHEMBL30782689 | 0.84 | AKT1 (0.32) | — | |
| SCHEMBL10861571 | 0.84 | PARP1 (0.30) | — | |
| SCHEMBL20595014 | 0.76 | KDM4E (0.42) | — | |
| SCHEMBL27915573 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL538186 | 0.68 | KDM4E (0.42) | — | |
| SCHEMBL30418876 | 0.68 | TDP1 (0.34) | — | |
| SCHEMBL29617434 | 0.67 | MAP3K7 (0.35) | — | |
| SCHEMBL5151745 | 0.67 | NPC1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0723543-A1 | METAL ION BINDING MONOMER AND POLYMER | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995009854-A1 | METAL ION BINDING MONOMER AND POLYMER | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1995-04-13 | — | — | WO | disclosed |