⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27993429 | 0.89 | — | — | |
| SCHEMBL5850365 | 0.87 | — | — | |
| SCHEMBL3454293 | 0.87 | — | — | |
| SCHEMBL177778 | 0.87 | — | — | |
| SCHEMBL3613786 | 0.87 | — | — | |
| SCHEMBL5684761 | 0.87 | — | — | |
| SCHEMBL25247569 | 0.75 | — | — | |
| SCHEMBL28331178 | 0.75 | — | — | |
| SCHEMBL3171641 | 0.75 | — | — | |
| SCHEMBL5017415 | 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-7005059-B1 | Catalyst having at least one element of group VIIB and its use in hydro-treating | INSTITUT FRANCAIS DU PETROLE (FR) | 2006-02-28 | — | — | US | disclosed |