⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28698292 | 1.00 | — | — | |
| SCHEMBL36062 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7957782 | 0.96 | TRPV1 (0.35) | — | |
| Bromide SCHEMBL11687258 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL11319304 | 0.96 | — | — | |
| SCHEMBL10873759 | 0.96 | — | — | |
| Acetic Acid SCHEMBL3932257 | 0.83 | GABRR1 (0.48) | — | |
| Succinic Acid SCHEMBL14844489 | 0.81 | GABRP (0.46) | — | |
| SCHEMBL16359908 | 0.79 | — | — | |
| SCHEMBL40004 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110317204-B | Pyrazolopyrimidinone derivative and preparation method and application thereof | 安徽农业大学 | 2022-02-08 | — | — | CN | disclosed |
| CN-110804064-A | Synthetic method of levofloxacin carboxylic acid | 浙江工业大学 | 2020-02-18 | — | — | CN | disclosed |