⚠ 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28663196 | 0.75 | TSHR (0.88) | — | |
| SCHEMBL31566448 | 0.75 | — | — | |
| Benzoic Acid SCHEMBL11789341 | 0.75 | CA2 (0.94) | — | |
| Benzil SCHEMBL7142843 | 0.73 | CES2 (1.00) | — | |
| Benzoic Acid SCHEMBL7719037 | 0.73 | TSHR (1.00) | — | |
| Benzoic Acid SCHEMBL975929 | 0.73 | TSHR (1.00) | — | |
| Benzoic Acid SCHEMBL976149 | 0.73 | TSHR (1.00) | — | |
| Benzoic Acid SCHEMBL149318 | 0.73 | TSHR (1.00) | — | |
| Benzophenone SCHEMBL6061130 | 0.73 | ALDH1A1 (1.00) | — | |
| Benzoic Acid SCHEMBL137419 | 0.73 | TSHR (1.00) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885775-A1 | ENHANCING INTERACTIVITY BETWEEN AMINE-FUNCTIONALIZED POLYMERS AND PARTICULATE FILLERS | Bridgestone Corporation (JP) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006128158-A1 | ENHANCING INTERACTIVITY BETWEEN AMINE-FUNCTIONALIZED POLYMERS AND PARTICULATE FILLERS | BRIDGESTONE CORPORATION (JP) | 2006-11-30 | — | — | WO | disclosed |