⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28884245 | 0.73 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL29378444 | 0.64 | PRKCI (0.38) | — | |
| SCHEMBL33767 | 0.64 | PRKCI (0.38) | — | |
| Bromide SCHEMBL18979877 | 0.63 | PRKCI (0.37) | — | |
| Hydrochloric Acid SCHEMBL29836023 | 0.63 | THRB (0.41) | — | |
| Bromide SCHEMBL18979874 | 0.63 | PRKCI (0.37) | — | |
| Hydrochloric Acid SCHEMBL7162451 | 0.63 | THRB (0.41) | — | |
| Water SCHEMBL28619662 | 0.63 | PRKCI (0.37) | — | |
| Hydrochloric Acid SCHEMBL5200042 | 0.63 | THRB (0.41) | — | |
| SCHEMBL3650407 | 0.61 | TAAR1 (0.48) | — |
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-117783502-A | Paper-based device for detecting tetracycline antibiotics based on structure conversion adapter and application thereof | 大连理工大学 | 2024-03-29 | — | — | CN | disclosed |