⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6767033 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL253489 | 0.72 | TBXAS1 (0.31) | — | |
| SCHEMBL6766728 | 0.69 | CYP2D6 (0.35) | — | |
| SCHEMBL2156114 | 0.68 | CYP1A2 (0.33) | — | |
| SCHEMBL15529733 | 0.66 | TBXAS1 (0.36) | — | |
| SCHEMBL18586731 | 0.62 | CYP11B1 (0.33) | — | |
| SCHEMBL7630451 | 0.62 | TBXAS1 (0.33) | — | |
| SCHEMBL5254451 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL30944028 | 0.60 | DGAT1 (0.34) | — | |
| SCHEMBL29893529 | 0.59 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6828320-B2 | Enzyme inhibitors; anticancer agents | SMITHKLINE BEECHAM CORPORATION | 2004-12-07 | — | — | US | disclosed |
| US-20020147214-A1 | Heterocyclic compounds | NOVARTIS AG (CH) | 2002-10-10 | — | — | US | disclosed |
| US-6391874-B1 | ANTICARCINOGENIC AGENTS; SKIN DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2002-05-21 | — | — | US | disclosed |