⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5775096 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27624460 | 0.98 | — | — | |
| SCHEMBL3612747 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL29191460 | 0.84 | — | — | |
| SCHEMBL4774239 | 0.72 | — | — | |
| SCHEMBL3569489 | 0.72 | — | — | |
| SCHEMBL1644988 | 0.72 | — | — | |
| SCHEMBL13017409 | 0.72 | — | — | |
| SCHEMBL27668050 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL24715807 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997044313-A1 | N,N'-Di(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES | NOVARTIS AG (CH) | 1997-11-27 | — | — | WO | disclosed |
| WO-1997021100-A9 | HIV PROTEASE INHIBITORS | — | 1997-10-30 | — | — | WO | disclosed |