⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11874513 | 0.97 | MAPT (0.78) | — | |
| SCHEMBL10498707 | 0.92 | ALDH1A1 (0.70) | — | |
| SCHEMBL5672438 | 0.92 | — | — | |
| SCHEMBL152048 | 0.91 | MAPT (0.69) | — | |
| SCHEMBL149979 | 0.90 | MAPT (1.00) | — | |
| SCHEMBL28805019 | 0.90 | MAPT (0.91) | — | |
| SCHEMBL7224479 | 0.88 | MAPT (0.95) | — | |
| SCHEMBL9206204 | 0.88 | MAPT (0.95) | — | |
| SCHEMBL151720 | 0.88 | MAPT (0.95) | — | |
| SCHEMBL151103 | 0.88 | MAPT (0.95) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103025816-B | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORP | 2015-07-22 | — | — | CN | disclosed |