⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13083134 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL27940414 | 0.62 | — | — | |
| SCHEMBL1155848 | 0.62 | — | — | |
| SCHEMBL6249510 | 0.59 | — | — | |
| SCHEMBL10759657 | 0.59 | — | — | |
| SCHEMBL19174588 | 0.59 | — | — | |
| SCHEMBL18499160 | 0.59 | — | — | |
| SCHEMBL17470060 | 0.59 | — | — | |
| SCHEMBL19623201 | 0.59 | — | — | |
| SCHEMBL10809897 | 0.59 | — | — |
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-4801726-A | HYDRAZIDE SILICAS | NORTHEASTERN UNIVERSITY (US) | 1989-01-31 | — | — | US | disclosed |