⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29029674 | 0.61 | — | — | |
| SCHEMBL1301418 | 0.61 | TRPA1 (0.53) | — | |
| SCHEMBL1301420 | 0.61 | TRPA1 (0.53) | — | |
| SCHEMBL17460541 | 0.61 | — | — | |
| SCHEMBL17460598 | 0.59 | — | — | |
| SCHEMBL17395587 | 0.59 | — | — | |
| SCHEMBL3634597 | 0.58 | TRPA1 (0.31) | — | |
| SCHEMBL30294141 | 0.58 | — | — | |
| SCHEMBL11197169 | 0.58 | GPR52 (0.46) | — | |
| SCHEMBL21662620 | 0.57 | — | — |
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-113980036-B | Near infrared fluorescent probe with dual responses of alkalinity, active oxygen and active nitrogen, and preparation method and application thereof | 复旦大学 | 2023-05-30 | — | — | CN | claimed |