⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8317701 | 0.79 | HTR6 (0.33) | — | |
| SCHEMBL5702835 | 0.78 | GPR3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7202648 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7206016 | 0.76 | — | — | |
| SCHEMBL7202636 | 0.69 | — | — | |
| SCHEMBL8535341 | 0.68 | GPR3 (0.34) | — | |
| SCHEMBL7564543 | 0.65 | — | — | |
| SCHEMBL8861776 | 0.65 | HTR2A (0.37) | — | |
| SCHEMBL5702797 | 0.63 | GPR3 (0.33) | — | |
| SCHEMBL1454414 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5948873-A | COORDINATION CATALYST | ENICHEM S.P.A. (IT) | 1999-09-07 | — | — | US | disclosed |