⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL27705187 | 0.97 | — | — | |
| Formic Acid SCHEMBL28565342 | 0.86 | CHRNB2 (0.32) | — | |
| SCHEMBL48864 | 0.79 | — | — | |
| Formic Acid SCHEMBL30610917 | 0.78 | — | — | |
| Formic Acid SCHEMBL31539653 | 0.78 | MAN1B1 (0.44) | — | |
| Formic Acid SCHEMBL27274605 | 0.76 | — | — | |
| SCHEMBL12579677 | 0.75 | CCR5 (0.43) | — | |
| Hydrochloric Acid SCHEMBL564498 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL29109023 | 0.75 | — | — | |
| Formic Acid SCHEMBL28670991 | 0.75 | SLC6A1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120019042-A | Compounds for the treatment of neurodegenerative diseases | 细胞基因公司 | 2025-05-16 | — | — | CN | disclosed |