⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL275489 | 0.74 | — | — | |
| SCHEMBL18360940 | 0.70 | — | — | |
| SCHEMBL28833403 | 0.70 | — | — | |
| SCHEMBL805280 | 0.59 | — | — | |
| SCHEMBL5071898 | 0.59 | — | — | |
| Water SCHEMBL4242800 | 0.56 | — | — | |
| SCHEMBL2713684 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL4513212 | 0.56 | — | — | |
| SCHEMBL9999127 | 0.56 | — | — | |
| Phosphine SCHEMBL7269946 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20260062434-A1 | METALLOCENE COMPOUND, A CATALYST, AN ELECTRON MEDIATOR, AN ELECTROLYTE FOR A REDOX FLOW BATTERY, A MEDICAMENT AND A METHOD FOR PRODUCING THE METALLOCENE COMPOUND | OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) | 2026-03-05 | — | — | US | disclosed |
| CN-113891879-B | 3, 6-Disubstituted-2-pyridine aldoxime skeleton | 国家科学研究中心 | 2025-03-04 | — | — | CN | disclosed |