⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37261 | 0.94 | — | — | |
| SCHEMBL2133522 | 0.89 | — | — | |
| Water SCHEMBL16224273 | 0.88 | — | — | |
| SCHEMBL914519 | 0.88 | — | — | |
| SCHEMBL11797967 | 0.88 | — | — | |
| SCHEMBL914234 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL565223 | 0.88 | — | — | |
| SCHEMBL16796526 | 0.88 | — | — | |
| SCHEMBL11567296 | 0.88 | — | — | |
| SCHEMBL913498 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0173381-A1 | Catalyst mixtures | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-03-05 | — | — | EP | disclosed |