⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14062519 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28371398 | 0.78 | MEN1 (0.50) | — | |
| SCHEMBL2277112 | 0.77 | L3MBTL1 (0.38) | — | |
| SCHEMBL2277116 | 0.77 | L3MBTL1 (0.38) | — | |
| SCHEMBL11103862 | 0.75 | MEN1 (0.52) | — | |
| SCHEMBL5487957 | 0.75 | MEN1 (0.52) | — | |
| SCHEMBL11107953 | 0.75 | MEN1 (0.52) | — | |
| Propane SCHEMBL28437167 | 0.74 | MEN1 (0.44) | — | |
| SCHEMBL22947098 | 0.74 | — | — | |
| SCHEMBL1752174 | 0.73 | — | — |
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-1812420-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | Nicholas Piramal India Limited (IN) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006051476-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | NICHOLAS PIRAMAL INDIA LIMITED (IN) | 2006-05-18 | — | — | WO | disclosed |