⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6029824 | 0.75 | — | — | |
| SCHEMBL1057489 | 0.73 | — | — | |
| SCHEMBL2380843 | 0.73 | — | — | |
| SCHEMBL4951236 | 0.73 | — | — | |
| SCHEMBL1669550 | 0.73 | — | — | |
| SCHEMBL6382645 | 0.73 | — | — | |
| SCHEMBL4277945 | 0.73 | — | — | |
| SCHEMBL7858165 | 0.73 | — | — | |
| SCHEMBL8355029 | 0.73 | — | — | |
| SCHEMBL1661715 | 0.73 | — | — |
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-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |