⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8663358 | 0.80 | DAGLA (0.32) | — | |
| SCHEMBL20937460 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL3405751 | 0.57 | NPC1 (0.39) | — | |
| SCHEMBL24135237 | 0.55 | KDM5B (0.32) | — | |
| SCHEMBL12034500 | 0.55 | — | — | |
| SCHEMBL21288757 | 0.54 | DHODH (0.32) | — | |
| SCHEMBL19773349 | 0.54 | KDM5B (0.31) | — | |
| SCHEMBL29104456 | 0.52 | SMPD3 (0.31) | — | |
| SCHEMBL24122117 | 0.52 | PDPK1 (0.47) | — | |
| SCHEMBL24271104 | 0.52 | KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5811445-A | ANGIOTENSIN II INHIBITORS | ROUSSEL UCLAF (FR) | 1998-09-22 | — | — | US | disclosed |