⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9309712 | 0.65 | — | — | |
| SCHEMBL11757104 | 0.65 | — | — | |
| SCHEMBL1538519 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL9309096 | 0.65 | — | — | |
| SCHEMBL6358037 | 0.62 | — | — | |
| SCHEMBL11757248 | 0.62 | — | — | |
| SCHEMBL3388256 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL28889057 | 0.60 | — | — | |
| Perchlorobenzene SCHEMBL10802083 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL6358036 | 0.56 | MEN1 (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 |
|---|---|---|---|---|---|---|---|
| US-4093515-A | SILICA, FILLERS | GOVERNMENT OF THE UNITED STATES (US) | 1978-06-06 | — | — | US | disclosed |