⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9275602 | 0.94 | — | — | |
| SCHEMBL7904856 | 0.79 | — | — | |
| SCHEMBL9076139 | 0.79 | CA14 (0.33) | — | |
| SCHEMBL2811802 | 0.76 | — | — | |
| SCHEMBL7778538 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL8544000 | 0.69 | — | — | |
| SCHEMBL27833678 | 0.67 | — | — | |
| SCHEMBL11781368 | 0.67 | — | — | |
| SCHEMBL27995532 | 0.67 | ALOX15 (0.33) | — | |
| SCHEMBL28867334 | 0.64 | CTSD (0.38) | — |
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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8080656-B2 | Process for the preparation of aprepitant | RANBAXY LABORATORIES LIMITED (IN) | 2011-12-20 | — | — | US | claimed |
| WO-2009116081-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | MSN LABORATORIES LIMITED (IN) | 2009-09-24 | — | — | WO | claimed |
| US-5637699-A | CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENT | MERCK & CO., INC. (US) | 1997-06-10 | — | — | US | claimed |
| US-6432953-B1 | — | — | None | — | — | US | disclosed |
| EP-2817305-B1 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | PIRAMAL ENTPR LTD (IN) | 2016-09-28 | — | — | EP | disclosed |
| US-20160031867-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | Piramal Enterprises Limited (IN) | 2016-02-04 | — | — | US | disclosed |
| EP-2817305-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | Piramal Enterprises Limited (IN) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124823-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | Piramal Enterprises Limited (IN) | 2013-08-29 | — | — | WO | disclosed |
| US-8133994-B2 | Preparation of aprepitant | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-03-13 | — | — | US | disclosed |
| US-20110094321-A1 | PREPARATION OF APREPITANT | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-04-28 | — | — | US | disclosed |
| EP-1394150-B1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2011-01-19 | — | — | EP | disclosed |
| WO-1995016679-A1 | MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-06-22 | — | — | WO | disclosed |
| EP-0652866-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LTD. (GB) | 1995-05-17 | — | — | EP | disclosed |
| EP-0636130-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LTD. (GB) | 1995-02-01 | — | — | EP | disclosed |
| WO-1994019323-A1 | AZACYCLIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-01 | — | — | WO | disclosed |
| WO-1994002461-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |
| WO-1994000440-A1 | MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-01-06 | — | — | WO | disclosed |
| EP-0577394-A1 | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO. INC. (US) | 1994-01-05 | — | — | EP | disclosed |
| WO-1993024465-A1 | 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993021181-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-28 | — | — | WO | disclosed |