⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29546867 | 0.68 | TRPA1 (0.41) | — | |
| Water SCHEMBL28834494 | 0.67 | TRPA1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL30528593 | 0.67 | NPC1 (0.43) | — | |
| SCHEMBL29484156 | 0.65 | — | — | |
| SCHEMBL29541803 | 0.64 | CHRNB2 (0.42) | — | |
| SCHEMBL29077369 | 0.64 | CHRNB2 (0.42) | — | |
| SCHEMBL24783963 | 0.63 | MEN1 (0.37) | — | |
| SCHEMBL15120307 | 0.63 | HTR5A (0.35) | — | |
| SCHEMBL29809502 | 0.63 | CYP2D6 (0.33) | — | |
| SCHEMBL30843932 | 0.63 | — | — |
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-12162890-B2 | Heteroaromatic NMDA receptor modulators and uses thereof | NOVARTIS AG (CH) | 2024-12-10 | — | — | US | disclosed |
| US-20230023543-A1 | HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF | NOVARTIS AG (CH) | 2023-01-26 | — | — | US | disclosed |