⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9222651 | 0.86 | NPC1 (0.30) | — | |
| SCHEMBL9226852 | 0.85 | MEN1 (0.31) | — | |
| SCHEMBL16388357 | 0.69 | CALM1 (0.48) | — | |
| SCHEMBL6792504 | 0.68 | MAPK1 (0.42) | — | |
| SCHEMBL8992923 | 0.67 | LTA4H (0.48) | — | |
| SCHEMBL11981415 | 0.66 | ACACB (0.37) | — | |
| SCHEMBL8585971 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL8620661 | 0.66 | CYP19A1 (0.40) | — | |
| SCHEMBL21902945 | 0.65 | ABCB11 (0.37) | — | |
| SCHEMBL13267159 | 0.65 | SMN1; SMN2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0688325-A1 | PHOSPHONIC ACID DERIVATIVES | Eisai Co., Ltd. (JP) | 1995-12-27 | — | — | EP | disclosed |
| WO-1994020508-A1 | PHOSPHONIC ACID DERIVATIVES | EISAI CO., LTD. (JP) | 1994-09-15 | — | — | WO | disclosed |