⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14699127 | 0.91 | — | — | |
| SCHEMBL14698731 | 0.69 | HTR6 (0.31) | — | |
| SCHEMBL414164 | 0.67 | ELANE (0.42) | — | |
| SCHEMBL15025087 | 0.65 | PDGFRA (0.35) | — | |
| SCHEMBL18233837 | 0.60 | HTR2C (0.33) | — | |
| SCHEMBL12127680 | 0.60 | L3MBTL1 (0.37) | — | |
| SCHEMBL1077028 | 0.59 | HTR6 (0.35) | — | |
| SCHEMBL12234516 | 0.57 | — | — | |
| SCHEMBL4079517 | 0.57 | ADK (0.44) | — | |
| SCHEMBL517770 | 0.57 | HTR6 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9079902-B2 | Heteroaryl sodium channel inhibitors | AMGEN INC. (US) | 2015-07-14 | — | — | US | disclosed |
| US-20140256707-A1 | Heteroaryl Sodium Channel Inhibitors | AMGEN INC. (US) | 2014-09-11 | — | — | US | disclosed |