⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31598456 | 0.80 | — | — | |
| SCHEMBL30569580 | 0.74 | — | — | |
| Carbamic Acid SCHEMBL28087241 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL20706611 | 0.69 | OGG1 (0.31) | — | |
| Methylamine SCHEMBL28188491 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL4604457 | 0.67 | — | — | |
| SCHEMBL27361330 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL27420794 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL26103710 | 0.67 | TSHR (0.35) | — | |
| Methylamine SCHEMBL28188474 | 0.67 | THRB (0.39) | — |
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-119487019-A | Piperazine derivatives for HIV therapy | VIIV保健公司 | 2025-02-18 | — | — | CN | disclosed |