⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL627382 | 1.00 | — | — | |
| SCHEMBL4959144 | 0.92 | — | — | |
| SCHEMBL4961706 | 0.81 | — | — | |
| SCHEMBL27311941 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL9724790 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL25182453 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL25181774 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL4515246 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL25172438 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL6336658 | 0.72 | TSHR (0.46) | — |
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-20090069593-A1 | intermediates for synthesis of (S)-Pregabalin; anticonvulsants; crystalline form | KANSAL VINOD KUMAR | 2009-03-12 | — | — | US | disclosed |