⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL538982 | 0.65 | — | — | |
| SCHEMBL363991 | 0.65 | — | — | |
| SCHEMBL7178562 | 0.64 | GSK3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL18398546 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL18398541 | 0.63 | — | — | |
| SCHEMBL5323960 | 0.62 | — | — | |
| SCHEMBL7361503 | 0.62 | — | — | |
| SCHEMBL7268026 | 0.61 | — | — | |
| SCHEMBL15956217 | 0.60 | — | — | |
| SCHEMBL7447408 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010041108-A1 | NITROGENOUS HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF, AND USE THEREOF AS ANTIBACTERIAL AGENTS | NOVEXEL (FR) | 2010-04-15 | — | — | WO | disclosed |
| US-5674866-A | Antiallergic imidazoazepines | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-10-07 | — | — | US | disclosed |