⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3862810 | 0.79 | — | — | |
| SCHEMBL5010020 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL9035272 | 0.68 | — | — | |
| SCHEMBL2957240 | 0.62 | — | — | |
| SCHEMBL21548919 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL28842862 | 0.60 | — | — | |
| SCHEMBL7258925 | 0.55 | TSHR (0.54) | — | |
| Chloroacetic Acid SCHEMBL19089 | 0.55 | — | — | |
| Chloroacetic Acid SCHEMBL1330914 | 0.55 | — | — | |
| Chloroacetic Acid SCHEMBL5309413 | 0.55 | TSHR (1.00) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009116081-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | MSN LABORATORIES LIMITED (IN) | 2009-09-24 | — | — | WO | claimed |
| US-20130345418-A1 | PROCESS FOR PURIFICATION OF APREPITANT | HETERO DRUGS LIMITED (IN) | 2013-12-26 | — | — | US | disclosed |
| WO-2009116081-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | MSN LABORATORIES LIMITED (IN) | 2009-09-24 | — | — | WO | disclosed |
| US-20090149462-A1 | PROCESS FOR PURIFICATION OF APREPITANT | HETERO DRUGS LIMITED (IN) | 2009-06-11 | — | — | US | disclosed |
| EP-2057151-A2 | PROCESS FOR PURIFICATION OF APREPITANT | Hetero Drugs Limited (IN) | 2009-05-13 | — | — | EP | disclosed |
| WO-2009001203-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2008-12-31 | — | — | WO | disclosed |
| WO-2008026216-A2 | PROCESS FOR PURIFICATION OF APREPITANT | HETERO DRUGS LIMITED (IN) | 2008-03-06 | — | — | WO | disclosed |