⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31022681 | 0.90 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL31022668 | 0.85 | — | — | |
| SCHEMBL18572521 | 0.79 | CA12 (0.30) | — | |
| SCHEMBL12256342 | 0.79 | KDM4E (0.41) | — | |
| SCHEMBL21219435 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL7723019 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL31022654 | 0.78 | CA12 (0.40) | — | |
| SCHEMBL8484616 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL7037590 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL22692534 | 0.74 | LMNA (0.31) | — |
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-0798366-A2 | Lubricant | NEMATEL Dr. Rudolf Eidenschink (DE) | 1997-10-01 | — | — | EP | disclosed |