⚠ 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 SCHEMBL7112251 | 0.93 | — | — | |
| Bromide SCHEMBL7112456 | 0.93 | — | — | |
| Bromide SCHEMBL7109057 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL7112390 | 0.62 | — | — | |
| Fluoride Ion SCHEMBL7109047 | 0.59 | CA1 (0.30) | — | |
| SCHEMBL28418615 | 0.59 | HSD17B10 (0.47) | — | |
| SCHEMBL296293 | 0.59 | — | — | |
| Hydroxyl Radical SCHEMBL28108301 | 0.59 | — | — | |
| SCHEMBL23448 | 0.59 | — | — | |
| SCHEMBL9773536 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0834514-B1 | Process for synthesizing metallocene compounds | KANTO KAGAKU (JP) | 2003-10-22 | — | — | EP | disclosed |