⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1538519 | 0.92 | TSHR (0.30) | — | |
| SCHEMBL11757248 | 0.88 | — | — | |
| SCHEMBL3388256 | 0.87 | TSHR (0.32) | — | |
| SCHEMBL31424062 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL11789672 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL9309712 | 0.75 | — | — | |
| SCHEMBL9309096 | 0.75 | — | — | |
| SCHEMBL9418181 | 0.75 | — | — | |
| SCHEMBL11432812 | 0.73 | — | — | |
| SCHEMBL8538860 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4013817-A | HALOGENATED AROMATIC HYDROCARBON | BRIDGESTONE TIRE COMPANY LIMITED (JA) | 1977-03-22 | — | — | US | disclosed |