⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5174072 | 0.53 | — | — | |
| SCHEMBL12824291 | 0.53 | — | — | |
| Iodol SCHEMBL1649169 | 0.46 | — | — | |
| SCHEMBL10468043 | 0.45 | — | — | |
| SCHEMBL4584754 | 0.43 | — | — | |
| SCHEMBL24459 | 0.43 | — | — | |
| SCHEMBL7770211 | 0.40 | TTR (0.35) | — | |
| Fluoride SCHEMBL498862 | 0.40 | — | — | |
| Hydrochloric Acid SCHEMBL237157 | 0.40 | — | — | |
| SCHEMBL21385109 | 0.40 | — | — |
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-2009156951-A2 | 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-12-30 | — | — | WO | disclosed |