⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2603671 | 0.88 | MAPT (0.35) | — | |
| SCHEMBL13325298 | 0.79 | MAPT (0.31) | — | |
| SCHEMBL2603177 | 0.78 | MAPT (0.30) | — | |
| SCHEMBL14430030 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL14462077 | 0.74 | L3MBTL1 (0.36) | — | |
| SCHEMBL27540292 | 0.72 | TSHR (0.45) | — | |
| SCHEMBL12707930 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL27387712 | 0.70 | TSHR (0.46) | — | |
| SCHEMBL215848 | 0.70 | TSHR (0.46) | — | |
| SCHEMBL29405565 | 0.70 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1592659-B1 | METHOD OF PRODUCING DINITRILE COMPOUNDS | INVISTA TECH SARL (CH) | 2009-07-22 | — | — | EP | disclosed |