⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28662105 | 0.77 | HTR2C (0.31) | — | |
| SCHEMBL28660742 | 0.76 | ACHE (0.32) | — | |
| SCHEMBL17008830 | 0.76 | HTR2A (0.39) | — | |
| SCHEMBL29357709 | 0.76 | HTR2A (0.39) | — | |
| SCHEMBL29049889 | 0.67 | SLC6A2 (0.35) | — | |
| SCHEMBL5604678 | 0.67 | HTR2C (0.31) | — | |
| SCHEMBL28676390 | 0.64 | HTR2C (0.32) | — | |
| SCHEMBL9146492 | 0.63 | HDAC3 (0.33) | — | |
| SCHEMBL28947798 | 0.62 | HTR2C (0.30) | — | |
| SCHEMBL28666657 | 0.60 | SLC6A2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113748140-B | Metal-ligand complexes | 陶氏环球技术有限责任公司 | 2025-03-11 | — | — | CN | disclosed |
| EP-3962970-A1 | METAL-LIGAND COMPLEXES | Dow Global Technologies LLC (US) | 2022-03-09 | — | — | EP | disclosed |
| CN-113748140-A | Metal-ligand complexes | 陶氏环球技术有限责任公司 | 2021-12-03 | — | — | CN | disclosed |