⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2463455 | 0.83 | MBOAT4 (0.34) | — | |
| SCHEMBL12225088 | 0.83 | PDE1B (0.34) | — | |
| SCHEMBL2533033 | 0.75 | SOS1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL2466905 | 0.74 | SOS1 (0.35) | — | |
| SCHEMBL7395649 | 0.73 | ADORA3 (0.39) | — | |
| SCHEMBL2468305 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL12225101 | 0.71 | HRH4 (0.33) | — | |
| SCHEMBL12225113 | 0.71 | HTT (0.43) | — | |
| SCHEMBL31167564 | 0.68 | CHEK1 (0.37) | — | |
| SCHEMBL2467047 | 0.68 | CHEK1 (0.49) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110257137-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-10-20 | — | — | US | disclosed |
| US-20110257137-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-10-20 | — | — | US | disclosed |
| US-20110257137-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-10-20 | — | — | US | disclosed |
| WO-2011112731-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-09-15 | — | — | WO | disclosed |