⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19293287 | 0.80 | NPC1 (0.33) | — | |
| SCHEMBL876697 | 0.69 | ADRA2A (0.33) | — | |
| SCHEMBL450139 | 0.65 | — | — | |
| SCHEMBL2423149 | 0.63 | KDM4E (0.38) | — | |
| SCHEMBL10283975 | 0.62 | ADRA2A (0.37) | — | |
| SCHEMBL28213759 | 0.62 | PARP1 (0.36) | — | |
| SCHEMBL14253139 | 0.62 | ADRA2A (0.36) | — | |
| SCHEMBL14253136 | 0.62 | ADRA2A (0.36) | — | |
| SCHEMBL1809291 | 0.62 | CA12 (0.31) | — | |
| SCHEMBL13873056 | 0.62 | ADRA2A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2993215-B1 | Azabenzimidazo[2,1-a]benzimidazoles for electronic applications | IDEMITSU KOSAN CO (JP) | 2019-06-19 | — | — | EP | disclosed |