⚠ 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 SCHEMBL5165812 | 0.85 | — | — | |
| SCHEMBL180000 | 0.85 | — | — | |
| SCHEMBL466965 | 0.85 | — | — | |
| SCHEMBL1603253 | 0.72 | — | — | |
| SCHEMBL1602933 | 0.72 | — | — | |
| SCHEMBL1603958 | 0.72 | — | — | |
| SCHEMBL1603263 | 0.72 | — | — | |
| SCHEMBL1603317 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6227562 | 0.70 | — | — | |
| SCHEMBL1484247 | 0.69 | — | — |
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-4568435-A | TIN OR ANTIMONY COMPLEXES OF METALLOPORPHYRINS OR METALLOCHLORINS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1986-02-04 | — | — | US | disclosed |