⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29194818 | 0.83 | ADORA2A (0.40) | — | |
| SCHEMBL29194821 | 0.83 | ADORA2A (0.40) | — | |
| SCHEMBL30032578 | 0.83 | ADORA2A (0.40) | — | |
| SCHEMBL29194817 | 0.83 | ADORA2A (0.40) | — | |
| SCHEMBL24758367 | 0.76 | ADORA2A (0.40) | — | |
| SCHEMBL29194901 | 0.76 | ADORA2A (0.40) | — | |
| SCHEMBL30031152 | 0.76 | ADORA2A (0.40) | — | |
| SCHEMBL29194899 | 0.76 | ADORA2A (0.40) | — | |
| Hydrochloric Acid SCHEMBL30910200 | 0.74 | ELANE (0.32) | — | |
| Hydrochloric Acid SCHEMBL29985966 | 0.74 | ELANE (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240279221-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHROEDINGER INC (US) | 2024-08-22 | — | — | US | disclosed |
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| CN-117715642-A | Heterocyclic compounds and methods of use | 薛定谔公司 | 2024-03-15 | — | — | CN | disclosed |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | WO | disclosed |