⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2563775 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL2564413 | 0.74 | — | — | |
| SCHEMBL2563954 | 0.74 | — | — | |
| SCHEMBL149449 | 0.71 | — | — | |
| SCHEMBL2226696 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL6288249 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL10962146 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL4156799 | 0.68 | CPA1 (0.33) | — | |
| SCHEMBL8079312 | 0.67 | — | — | |
| SCHEMBL21557607 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2382240-A2 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | Bridgestone Corporation (JP) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010085622-A9 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010085622-A2 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2010-07-29 | — | — | WO | disclosed |