⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2107183 | 0.69 | — | — | |
| SCHEMBL469067 | 0.64 | — | — | |
| SCHEMBL8275377 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4977441 | 0.62 | — | — | |
| SCHEMBL28559204 | 0.62 | — | — | |
| SCHEMBL22919861 | 0.62 | — | — | |
| SCHEMBL16058288 | 0.62 | — | — | |
| SCHEMBL604384 | 0.60 | — | — | |
| SCHEMBL16056898 | 0.60 | HMGCR (0.31) | — | |
| SCHEMBL24922163 | 0.60 | — | — |
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-2023004240-A1 | MACROCYLIC IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-01-26 | — | — | WO | disclosed |