⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19766598 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL30229760 | 0.60 | GRIN2D (0.30) | — | |
| SCHEMBL17711875 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL17824731 | 0.57 | — | — | |
| SCHEMBL23243429 | 0.55 | — | — | |
| SCHEMBL18555707 | 0.55 | — | — | |
| SCHEMBL25354226 | 0.54 | — | — | |
| SCHEMBL765773 | 0.51 | — | — | |
| SCHEMBL16118672 | 0.47 | — | — | |
| SCHEMBL24003245 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3193855-B1 | BICYCLIC COMPOUNDS | RECURIUM IP HOLDINGS LLC (US) | 2021-05-19 | — | — | EP | disclosed |