⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4742180 | 0.81 | NPC1 (0.31) | — | |
| SCHEMBL4739745 | 0.76 | KDM4E (0.39) | — | |
| SCHEMBL30585163 | 0.65 | TYR (0.32) | — | |
| SCHEMBL29473475 | 0.65 | MAOB (0.39) | — | |
| SCHEMBL1350215 | 0.65 | MAOB (0.39) | — | |
| SCHEMBL24217695 | 0.64 | — | — | |
| SCHEMBL24217696 | 0.64 | ERN1 (0.31) | — | |
| SCHEMBL12578957 | 0.64 | CES2 (0.39) | — | |
| SCHEMBL4744793 | 0.63 | DRD2 (0.31) | — | |
| SCHEMBL20205846 | 0.62 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008114123-A1 | SPIRO BENZIMIDAZOLE DERIVATIVES AS ACID PUMP INHIBITORS | RAQUALIA PHARMA INC. (JP) | 2008-09-25 | — | — | WO | disclosed |