⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL264011 | 0.76 | — | — | |
| SCHEMBL5279904 | 0.75 | — | — | |
| SCHEMBL9275602 | 0.71 | — | — | |
| SCHEMBL9076139 | 0.71 | CA14 (0.33) | — | |
| SCHEMBL498258 | 0.69 | — | — | |
| SCHEMBL15468786 | 0.69 | — | — | |
| SCHEMBL11319472 | 0.64 | LMNA (0.38) | — | |
| SCHEMBL11322631 | 0.64 | CA1 (0.38) | — | |
| SCHEMBL11311664 | 0.64 | LMNA (0.32) | — | |
| SCHEMBL11311134 | 0.64 | ALDH1A1 (0.35) | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100004242-A1 | PROCESS FOR THE PREPARATION OF APREPITANT | RANBAXY LABORATORIES LIMITED (IN) | 2010-01-07 | — | — | US | claimed |
| WO-2009116081-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | MSN LABORATORIES LIMITED (IN) | 2009-09-24 | — | — | WO | claimed |
| EP-1934204-A2 | PROCESS FOR PREPARATION OF APREPITANT | RANBAXY LABORATORIES, LTD. (IN) | 2008-06-25 | — | — | EP | claimed |
| WO-2007039883-A2 | PROCESS FOR PREPARATION OF APREPITANT | RANBAXY LABORATORIES LIMITED (IN) | 2007-04-12 | — | — | WO | claimed |
| US-6432953-B1 | — | — | None | — | — | US | disclosed |
| US-20130345418-A1 | PROCESS FOR PURIFICATION OF APREPITANT | HETERO DRUGS LIMITED (IN) | 2013-12-26 | — | — | US | disclosed |
| US-8080656-B2 | Process for the preparation of aprepitant | RANBAXY LABORATORIES LIMITED (IN) | 2011-12-20 | — | — | US | disclosed |
| WO-2010092591-A2 | NOVEL CRYSTALLINE POLYMORPHS OF 5-[[(2R,3S)-2-[(1R)-1-[3,5- BIS(TRIFLUOROMETHYL) PHENYL] ETHOXY]-3-(4-FLUOROPHENYL)-4-MORPHOLINYL]METHYL]-1,2- DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE AND PROCESS FOR PREPARATION THEREOF | USV LIMITED (IN) | 2010-08-19 | — | — | WO | disclosed |
| US-20100004242-A1 | PROCESS FOR THE PREPARATION OF APREPITANT | RANBAXY LABORATORIES LIMITED (IN) | 2010-01-07 | — | — | 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 |
| EP-0994867-A1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 2-(R)-(1-(R) -(3,5-BIS(TRIFLUOROMETHYL) PHENYL)ETHOXY)-3-(S)-(4-FLUORO) PHENYL-4-(3-5 (-OXO-1H,4H-1,2,4,-TRIAZOLO) METHYLMORPHOLINE | Merck & Co., Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| US-6048859-A | ANTIEMETIC AGENT | MERCK & CO., INC. (US) | 2000-04-11 | — | — | US | disclosed |
| US-5922706-A | TREATING INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS, AND CALCIUM CHANNEL BLOCKERS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS SUCH AS ANGINA, HYPERTENSION OR ISCHEMIA | MERCK & CO., INC. (US) | 1999-07-13 | — | — | US | disclosed |
| US-5872116-A | TREATMENT OF INFLAMATION, PAIN, MIGRAINE, ASTHMA AND EMESIS | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| WO-1999001444-A1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 2-(R)-(1-(R) -(3,5-BIS(TRIFLUOROMETHYL) PHENYL)ETHOXY)-3-(S)-(4-FLUORO) PHENYL-4-(3-5 (-OXO-1H,4H-1,2,4,-TRIAZOLO) METHYLMORPHOLINE | MERCK & CO., INC. (US) | 1999-01-14 | — | — | WO | disclosed |
| US-5780467-A | USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS | MERCK & CO., INC. (US) | 1998-07-14 | — | — | US | disclosed |
| US-5719147-A | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5691336-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; THERAPY OF ASTHMA, EMESIS | MERCK & CO., INC. (US) | 1997-11-25 | — | — | US | disclosed |