⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21431 | 0.95 | — | — | |
| SCHEMBL10716524 | 0.90 | — | — | |
| SCHEMBL28043179 | 0.90 | — | — | |
| SCHEMBL6013309 | 0.90 | — | — | |
| Ethylene SCHEMBL27268231 | 0.86 | — | — | |
| Propene SCHEMBL28250702 | 0.86 | — | — | |
| Cyanide SCHEMBL29022581 | 0.82 | — | — | |
| Cyanide SCHEMBL28613574 | 0.82 | — | — | |
| Butadiene SCHEMBL2888248 | 0.82 | — | — | |
| Propane SCHEMBL28249947 | 0.82 | — | — |
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-4455447-A | ALKALI OR ALKALINE EARTH METAL, PRIMARY AMINE | SHELL OIL COMPANY (US) | 1984-06-19 | — | — | US | disclosed |