⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21996012 | 0.82 | TRPM2 (0.40) | — | |
| SCHEMBL21995948 | 0.81 | TRPM2 (0.36) | — | |
| SCHEMBL21995749 | 0.80 | TRPM2 (0.37) | — | |
| SCHEMBL21995953 | 0.73 | LMNA (0.38) | — | |
| SCHEMBL21995968 | 0.70 | TRPM2 (0.34) | — | |
| SCHEMBL24878345 | 0.69 | TRPM2 (0.35) | — | |
| SCHEMBL16006803 | 0.68 | TRPM2 (0.47) | — | |
| SCHEMBL21752547 | 0.68 | TRPM2 (0.45) | — | |
| SCHEMBL24878344 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL21995733 | 0.66 | TRPM2 (0.34) | — |
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-20230008022-A1 | NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2023-01-12 | — | — | US | disclosed |