⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28159198 | 0.71 | — | — | |
| SCHEMBL9591782 | 0.68 | — | — | |
| SCHEMBL8984853 | 0.68 | — | — | |
| SCHEMBL15657019 | 0.67 | — | — | |
| SCHEMBL3767282 | 0.66 | — | — | |
| SCHEMBL17077967 | 0.64 | — | — | |
| SCHEMBL18745924 | 0.64 | — | — | |
| SCHEMBL19372103 | 0.62 | — | — | |
| SCHEMBL29007754 | 0.60 | — | — | |
| SCHEMBL4511207 | 0.60 | — | — |
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-5026917-A | Acetylation of 2-methylnaphthalenes | AMOCO CORPORATION (US) | 1991-06-25 | — | — | US | disclosed |