⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27299909 | 0.74 | — | — | |
| SCHEMBL29291379 | 0.73 | — | — | |
| Piperidine SCHEMBL5623196 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL27743011 | 0.64 | CA2 (0.36) | — | |
| SCHEMBL6229100 | 0.63 | — | — | |
| SCHEMBL3974885 | 0.63 | KMT2A (0.30) | — | |
| SCHEMBL35436 | 0.63 | — | — | |
| Tetrahydrofuran SCHEMBL29066321 | 0.62 | ALDH1A1 (0.38) | — | |
| Cyclopentene SCHEMBL11338218 | 0.62 | — | — | |
| Cyclohexene SCHEMBL11340290 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101678120-A | Prodrugs and methods of making and using the same | NEUROGESX INC | 2010-03-24 | — | — | CN | disclosed |