⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7419396 | 0.65 | TERT (0.31) | — | |
| SCHEMBL7419123 | 0.64 | — | — | |
| SCHEMBL7421952 | 0.61 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL9413480 | 0.58 | BBOX1 (0.50) | — | |
| SCHEMBL7426439 | 0.56 | CA12 (0.58) | — | |
| SCHEMBL11688583 | 0.56 | HPGD (0.39) | — | |
| SCHEMBL423449 | 0.55 | CA12 (0.59) | — | |
| SCHEMBL10359428 | 0.54 | HPGD (0.48) | — | |
| SCHEMBL209977 | 0.54 | — | — | |
| SCHEMBL8812724 | 0.54 | EPHX1 (0.61) | — |
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-0861249-A1 | SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997018205-A1 | SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-05-22 | — | — | WO | disclosed |