⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6244794 | 0.71 | — | — | |
| SCHEMBL19547637 | 0.69 | CACNB4 (0.38) | — | |
| SCHEMBL4277063 | 0.69 | GPR3 (0.46) | — | |
| SCHEMBL30719341 | 0.69 | GPR3 (0.46) | — | |
| SCHEMBL23466841 | 0.67 | GPR3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL7946463 | 0.67 | GPR3 (0.44) | — | |
| SCHEMBL29429234 | 0.67 | GPR3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL30300599 | 0.67 | GPR3 (0.44) | — | |
| Lithium SCHEMBL7631500 | 0.67 | GPR3 (0.44) | — | |
| SCHEMBL3213379 | 0.67 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002004468-A1 | METALLOCENE POLYMERIZATION CATALYST | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2002-01-17 | — | — | WO | disclosed |