⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16411361 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL15863310 | 0.80 | — | — | |
| SCHEMBL6433812 | 0.77 | — | — | |
| SCHEMBL8603108 | 0.77 | — | — | |
| SCHEMBL6928282 | 0.74 | POLB (0.33) | — | |
| Hydrochloric Acid SCHEMBL5702783 | 0.73 | POLB (0.32) | — | |
| Hydrochloric Acid SCHEMBL4726615 | 0.71 | — | — | |
| SCHEMBL3192378 | 0.68 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4728578 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8602075 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5148284-A | — | — | None | — | — | JP | disclosed |
| JP-H05148284-A | ZIRCONIUM COMPOUND CONTAINING UNSYMMETRICAL LIGAND AND CATALYTIC COMPONENT | SHOWA DENKO KK | 1993-06-15 | — | — | JP | disclosed |