⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1060213 | 0.83 | — | — | |
| SCHEMBL3799334 | 0.78 | — | — | |
| SCHEMBL1058965 | 0.74 | — | — | |
| SCHEMBL3802827 | 0.74 | — | — | |
| SCHEMBL57025 | 0.72 | — | — | |
| SCHEMBL11040318 | 0.72 | — | — | |
| SCHEMBL55695 | 0.70 | — | — | |
| SCHEMBL55968 | 0.70 | — | — | |
| SCHEMBL2452686 | 0.70 | — | — | |
| SCHEMBL27825093 | 0.70 | — | — |
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-4332612-A | N-METHYL-2-PYRROLIDONE AND A HALOALKYL SILANE | GAF CORPORATION (US) | 1982-06-01 | — | — | US | disclosed |