⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14996194 | 0.82 | HTR2C (0.33) | — | |
| SCHEMBL13002484 | 0.75 | — | — | |
| SCHEMBL8033819 | 0.68 | NPC1 (0.42) | — | |
| SCHEMBL8031252 | 0.67 | POLB (0.40) | — | |
| SCHEMBL24815804 | 0.66 | CHRNB2 (0.37) | — | |
| SCHEMBL29594272 | 0.66 | CHRNB2 (0.37) | — | |
| SCHEMBL13002503 | 0.65 | CYP1A2 (0.36) | — | |
| SCHEMBL13002504 | 0.65 | NPC1 (0.35) | — | |
| SCHEMBL13002561 | 0.65 | KCNN4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL19926223 | 0.64 | CHRNB2 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2250157-B1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LTD (IN) | 2014-11-05 | — | — | EP | disclosed |
| US-8455479-B2 | Heterocyclic compounds | PANACEA BIOTEC LIMITED (IN) | 2013-06-04 | — | — | US | disclosed |
| WO-2009093269-A1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LIMITED (IN) | 2009-07-30 | — | — | WO | disclosed |