⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL4601834 | 0.67 | THRB (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL4450628 | 0.67 | THRB (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL17709159 | 0.67 | THRB (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL28189543 | 0.67 | — | — | |
| SCHEMBL18876827 | 0.65 | DRD3 (0.30) | — | |
| SCHEMBL8471815 | 0.63 | — | — | |
| SCHEMBL19430509 | 0.63 | DPP7 (0.40) | — | |
| SCHEMBL20472787 | 0.63 | THRB (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL1073019 | 0.63 | — | — | |
| SCHEMBL5819277 | 0.63 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3080170-B1 | INSERTION POLYNORBORNENE-BASED THERMOSET RESINS | TRANSFERT PLUS SEC (CA) | 2020-02-05 | — | — | EP | disclosed |