⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21508916 | 0.84 | — | — | |
| SCHEMBL190413 | 0.74 | — | — | |
| SCHEMBL12980709 | 0.74 | — | — | |
| SCHEMBL14018506 | 0.72 | — | — | |
| SCHEMBL13183146 | 0.72 | — | — | |
| SCHEMBL19547052 | 0.72 | HRH4 (0.30) | — | |
| SCHEMBL13368511 | 0.72 | — | — | |
| SCHEMBL13599897 | 0.72 | — | — | |
| SCHEMBL18619996 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL1927289 | 0.72 | POLB (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3294732-B1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES INC (US) | 2019-09-25 | — | — | EP | disclosed |
| WO-2017210006-A1 | FLUOROCHEMICAL PIPERAZINE CARBOXAMIDES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |