⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL11861575 | 0.96 | CA1 (0.43) | — | |
| Formic Acid SCHEMBL169950 | 0.96 | — | — | |
| Formic Acid SCHEMBL11861556 | 0.77 | CA1 (0.31) | — | |
| SCHEMBL1560310 | 0.73 | CA1 (0.86) | — | |
| Oxalic Acid SCHEMBL6254640 | 0.69 | CA1 (0.46) | — | |
| SCHEMBL9814845 | 0.69 | — | — | |
| SCHEMBL15864291 | 0.69 | CA1 (0.75) | — | |
| Ammonia Solution, Strong SCHEMBL8568479 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL1276869 | 0.69 | CA1 (0.75) | — | |
| SCHEMBL4248879 | 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-5719031-A | MEASURING FLUORESCENCE | MOLECULAR PROBES, INC. (US) | 1998-02-17 | — | — | US | disclosed |