⚠ 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 SCHEMBL27435366 | 0.94 | CA1 (0.40) | — | |
| SCHEMBL815 | 0.94 | — | — | |
| SCHEMBL9181149 | 0.94 | — | — | |
| SCHEMBL1781916 | 0.94 | — | — | |
| SCHEMBL78716 | 0.94 | CA1 (0.50) | — | |
| SCHEMBL8837465 | 0.88 | CA1 (0.44) | — | |
| Bicarbonate SCHEMBL2591362 | 0.88 | — | — | |
| SCHEMBL4001690 | 0.88 | — | — | |
| Hydrogen Sulfide SCHEMBL22289073 | 0.88 | — | — | |
| Water SCHEMBL6150200 | 0.88 | — | — |
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-4463007-A | ANTIALLERGENS | BASF AKTIENGESELLSCHAFT (DE) | 1984-07-31 | — | — | US | disclosed |