⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11149667 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL16080817 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL4647044 | 0.76 | — | — | |
| SCHEMBL3910041 | 0.74 | — | — | |
| SCHEMBL197640 | 0.74 | — | — | |
| SCHEMBL3911224 | 0.74 | — | — | |
| SCHEMBL4642290 | 0.73 | — | — | |
| SCHEMBL1462041 | 0.73 | — | — | |
| SCHEMBL26934060 | 0.73 | — | — | |
| SCHEMBL107888 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8124764-B2 | Fused heterocyclyc inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-02-28 | — | — | US | disclosed |
| US-20100029638-A1 | FUSED HETEROCYCLYC INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2010-02-04 | — | — | US | disclosed |