⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9979781 | 0.75 | — | — | |
| SCHEMBL3836801 | 0.75 | — | — | |
| SCHEMBL23223061 | 0.69 | BACE1 (0.31) | — | |
| SCHEMBL9979784 | 0.69 | NQO1 (0.44) | — | |
| SCHEMBL24459 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL9538468 | 0.59 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL237157 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL1138722 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL21385109 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL546609 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112072170-B | Polyaluminium/borate solid electrolyte and battery | 深圳技术大学 | 2021-09-21 | — | — | CN | disclosed |
| US-20210198215-A1 | Organic Material for an Electronic Optoelectronic Device and Electronic Device Comprising the Organic Material | NOVALED GMBH (DE) | 2021-07-01 | — | — | US | disclosed |
| CN-112072170-A | Polyaluminium/borate solid electrolyte and battery | 深圳技术大学 | 2020-12-11 | — | — | CN | disclosed |
| WO-2008022633-A2 | SEMICONDUCTING ADDITION POLYMERS HAVING A COLUMNAR STRUCTURE | WERNER JOHANNES (DE) | 2008-02-28 | — | — | WO | disclosed |