⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8488170 | 0.94 | — | — | |
| SCHEMBL8310774 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL8310473 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL8309467 | 0.72 | GAA (0.35) | — | |
| SCHEMBL8488169 | 0.70 | CES2 (0.34) | — | |
| SCHEMBL6440073 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL8309821 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL8310772 | 0.69 | CES2 (0.33) | — | |
| SCHEMBL8679253 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL8310430 | 0.67 | SMN1; SMN2 (0.36) | — |
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-0918056-A1 | Herbicides | RHONE-POULENC AGRICULTURE LTD. (GB) | 1999-05-26 | — | — | EP | disclosed |