⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL86002 | 0.97 | — | — | |
| SCHEMBL29745047 | 0.94 | — | — | |
| SCHEMBL27503481 | 0.94 | — | — | |
| SCHEMBL7627393 | 0.94 | — | — | |
| Bromide SCHEMBL28492295 | 0.94 | — | — | |
| SCHEMBL1864260 | 0.94 | — | — | |
| SCHEMBL7627396 | 0.94 | — | — | |
| Ethylene SCHEMBL27584872 | 0.91 | — | — | |
| SCHEMBL7937324 | 0.80 | MCL1 (0.38) | — | |
| SCHEMBL8720465 | 0.75 | — | — |
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-5481019-A | Process for the preparation of alkali metal salts of cyanoacetone | HUELS AKTIENGESELLSCHAFT (DE) | 1996-01-02 | — | — | US | disclosed |