⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL153626 | 0.68 | — | — | |
| SCHEMBL148934 | 0.66 | — | — | |
| SCHEMBL153525 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL14816095 | 0.62 | — | — | |
| SCHEMBL152319 | 0.62 | TSHR (0.38) | — | |
| SCHEMBL14816093 | 0.61 | — | — | |
| SCHEMBL151155 | 0.61 | CYP1A2 (0.40) | — | |
| SCHEMBL153757 | 0.54 | FDPS (0.32) | — | |
| SCHEMBL151707 | 0.54 | TSHR (0.37) | — | |
| SCHEMBL149621 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8735494-B2 | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORPORATION (JP) | 2014-05-27 | — | — | US | disclosed |
| US-20130085227-A1 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2013-04-04 | — | — | US | disclosed |