⚠ 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 | |
|---|---|---|---|---|
| Tetrachlorothiophene SCHEMBL433499 | 0.71 | — | — | |
| SCHEMBL5538688 | 0.58 | — | — | |
| SCHEMBL6905680 | 0.58 | — | — | |
| SCHEMBL11313211 | 0.58 | — | — | |
| SCHEMBL5538694 | 0.58 | — | — | |
| SCHEMBL8136097 | 0.53 | — | — | |
| SCHEMBL6176625 | 0.52 | — | — | |
| SCHEMBL97717 | 0.52 | — | — | |
| SCHEMBL11985909 | 0.50 | — | — | |
| SCHEMBL224297 | 0.45 | MEN1 (0.31) | — |
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-20040102580-A1 | Rubber composition for solid golf ball, method of producing core for solid golf ball, and golf ball | BRIDGESTONE SPORTS CO., LTD. | 2004-05-27 | — | — | US | disclosed |