⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2458022 | 0.74 | — | — | |
| SCHEMBL29443091 | 0.73 | — | — | |
| SCHEMBL530450 | 0.73 | — | — | |
| SCHEMBL486558 | 0.72 | — | — | |
| 2,4-Dichlorofluorobenzene SCHEMBL29481133 | 0.71 | — | — | |
| 2,4-Dichlorofluorobenzene SCHEMBL530773 | 0.71 | — | — | |
| SCHEMBL905589 | 0.70 | — | — | |
| SCHEMBL3615799 | 0.70 | — | — | |
| SCHEMBL7570870 | 0.70 | — | — | |
| SCHEMBL23638850 | 0.69 | S100A4 (0.46) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| CN-101356156-B | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| EP-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |
| US-20100048636-A1 | Aspartic Protease Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-02-25 | — | — | US | disclosed |
| CN-101356156-A | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2009-01-28 | — | — | CN | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |
| EP-0750619-B1 | HETERO-ANNULATED INDAZOLES | NOVUSPHARMA SPA (IT) | 2001-05-30 | — | — | EP | disclosed |
| US-5596097-A | ANTITUMOR AGENTS | THE UNIVERSITY OF VERMONT (US) | 1997-01-21 | — | — | US | disclosed |
| EP-0750619-A1 | HETERO-ANNULATED INDAZOLES | BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) | 1997-01-02 | — | — | EP | disclosed |
| WO-1995024407-A1 | HETERO-ANNULATED INDAZOLES | BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) | 1995-09-14 | — | — | WO | disclosed |
| WO-1994006795-A1 | 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY | THE UNIVERSITY OF VERMONT (US) | 1994-03-31 | — | — | WO | disclosed |