⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22267296 | 0.81 | THRB (0.36) | — | |
| SCHEMBL19847431 | 0.74 | THRB (0.34) | — | |
| SCHEMBL12580893 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL20094880 | 0.71 | THRB (0.37) | — | |
| SCHEMBL20094925 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL22267237 | 0.71 | THRB (0.36) | — | |
| SCHEMBL21886544 | 0.71 | THRB (0.36) | — | |
| SCHEMBL20094882 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL22313760 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL24353614 | 0.69 | THRB (0.30) | — |
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-2436365-B1 | Composite material comprising a monomer with a polyalicyclic structure element | VOCO GMBH (DE) | 2017-03-08 | — | — | EP | disclosed |