⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121547 | 0.75 | — | — | |
| SCHEMBL17521750 | 0.75 | — | — | |
| SCHEMBL3138840 | 0.75 | — | — | |
| SCHEMBL14511715 | 0.71 | — | — | |
| SCHEMBL2005620 | 0.70 | — | — | |
| SCHEMBL14080573 | 0.66 | TDP1 (0.43) | — | |
| SCHEMBL18420372 | 0.66 | DAO (0.33) | — | |
| SCHEMBL6824970 | 0.65 | — | — | |
| SCHEMBL6834247 | 0.65 | — | — | |
| SCHEMBL10211527 | 0.65 | TDP1 (0.46) | — |
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-20090170907-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2009-07-02 | — | — | US | disclosed |
| EP-1888512-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006133216-A2 | 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-12-14 | — | — | WO | disclosed |