⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11217594 | 0.76 | — | — | |
| SCHEMBL2060169 | 0.76 | — | — | |
| SCHEMBL1709089 | 0.74 | — | — | |
| SCHEMBL17870870 | 0.72 | — | — | |
| SCHEMBL8775250 | 0.70 | — | — | |
| SCHEMBL3220847 | 0.70 | — | — | |
| SCHEMBL15643502 | 0.70 | CYP3A4 (0.37) | — | |
| Hydrogen Peroxide SCHEMBL11812678 | 0.70 | — | — | |
| SCHEMBL15068452 | 0.69 | CA1 (0.46) | — | |
| SCHEMBL15584 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7179303-A | — | — | None | — | — | JP | disclosed |
| EP-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| US-20120264735-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-10-18 | — | — | US | disclosed |
| US-20120264735-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-10-18 | — | — | US | disclosed |
| US-20120264735-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-10-18 | — | — | US | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |
| JP-H07179303-A | FUMIGATION METHOD | TEIJIN CHEM LTD | 1995-07-18 | — | — | JP | disclosed |