⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3474550 | 0.82 | L3MBTL1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL8572841 | 0.80 | L3MBTL1 (0.51) | — | |
| SCHEMBL9752595 | 0.80 | L3MBTL1 (0.55) | — | |
| SCHEMBL9752787 | 0.79 | POLB (0.63) | — | |
| SCHEMBL7459341 | 0.79 | L3MBTL1 (0.54) | — | |
| SCHEMBL1768170 | 0.77 | POLB (0.61) | — | |
| SCHEMBL16881026 | 0.77 | POLB (0.56) | — | |
| SCHEMBL5821955 | 0.76 | — | — | |
| SCHEMBL9394796 | 0.76 | L3MBTL1 (0.51) | — | |
| SCHEMBL21401230 | 0.76 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3131897-A1 | FACTOR IXA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-02-22 | — | — | EP | disclosed |
| EP-3131896-A1 | FACTOR IXA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-02-22 | — | — | EP | disclosed |
| WO-2015160634-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015160636-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |
| US-6864219-B2 | Substituted aryl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 2005-03-08 | — | — | US | disclosed |
| US-20050009704-A1 | Substituted aryl ketones | SCHALLNER OTTO (DE) | 2005-01-13 | — | — | US | disclosed |
| CN-1509285-A | Substituted aryl ketons | — | 2004-06-30 | — | — | CN | disclosed |
| US-20030153465-A1 | Substituted aryl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 2003-08-14 | — | — | US | disclosed |
| EP-1324996-A2 | SUBSTITUTED ARYL KETONES | Bayer CropScience AG (DE) | 2003-07-09 | — | — | EP | disclosed |
| WO-2001053275-A2 | SUBSTITUTED ARYL KETONES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-26 | — | — | WO | disclosed |
| US-4146396-A | TWO EQUIVALENT COUPLER | FUJI PHOTO FILM CO., LTD. (JP) | 1979-03-27 | — | — | US | disclosed |