⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10456469 | 0.81 | HTT (0.34) | — | |
| SCHEMBL10748044 | 0.81 | HTT (0.31) | — | |
| SCHEMBL10456688 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL6849544 | 0.77 | — | — | |
| SCHEMBL31017690 | 0.77 | GABRA1 (0.36) | — | |
| SCHEMBL10456470 | 0.77 | GABRA1 (0.36) | — | |
| SCHEMBL2885206 | 0.75 | P2RX7 (0.31) | — | |
| SCHEMBL9719588 | 0.72 | — | — | |
| SCHEMBL10750835 | 0.72 | HSP90AA1 (0.35) | — | |
| SCHEMBL10456467 | 0.71 | HTT (0.43) | — |
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-4960962-A | FORMING MONO-, DI-AND TRIBROMOSTYRENE WITHOUT USING A CATALYST | ETHYL CORPORATION (US) | 1990-10-02 | — | — | US | disclosed |