⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9302151 | 1.00 | — | — | |
| SCHEMBL8857966 | 0.97 | — | — | |
| SCHEMBL11696445 | 0.97 | — | — | |
| SCHEMBL11695343 | 0.97 | — | — | |
| SCHEMBL8411869 | 0.97 | — | — | |
| SCHEMBL135686 | 0.97 | — | — | |
| SCHEMBL7252675 | 0.94 | — | — | |
| SCHEMBL6550854 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL2333386 | 0.93 | — | — | |
| SCHEMBL2162549 | 0.93 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104447685-A | Preparation method of alogliptin | SHANGHAI TIANCI BIOLOG VALLEY BIOLOG ENGINEERING CO LTD | 2015-03-25 | — | — | CN | claimed |
| CN-103080067-A | Method for purifying organic solvent | ENF TECHNOLOGY CO LTD | 2013-05-01 | — | — | CN | claimed |
| US-4302583-A | BY HEATING THE CORRESPONDING DIMERIC ACYL CYANIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-11-24 | — | — | US | claimed |
| CN-104710368-B | Method for synthesizing 2-benzoyl quinazolinone compound | 温州大学 | 2017-05-03 | — | — | CN | disclosed |
| CN-104725325-B | 2-(1- phenethyl) quinazolinone and catalyzed synthesis method thereof | 温州大学 | 2017-01-18 | — | — | CN | disclosed |
| CN-104447685-A | Preparation method of alogliptin | SHANGHAI TIANCI BIOLOG VALLEY BIOLOG ENGINEERING CO LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-101343552-B | Method for preparing hydrocarbons matter with biological oil and fat | DAPENG REN | 2012-01-25 | — | — | CN | disclosed |
| CN-100579957-C | Novel arylamidine derivative or salt thereof | TOYAMA CHEMICAL CO LTD | 2010-01-13 | — | — | CN | disclosed |
| CN-101343552-A | Method for preparing hydrocarbons matter with biological oil and fat | DAPENG REN (CN) | 2009-01-14 | — | — | CN | disclosed |
| CN-1642906-A | Novel arylamidine derivative or salt thereof | TOYAMA CHEMICAL CO LTD (JP) | 2005-07-20 | — | — | CN | disclosed |
| US-6423802-B1 | CONTAINING ACRYLAMIDOMETHYLPROPANESULFONIC ACID POLYMER ANDALKALI METAL C1 TO C2 CARBOXYLIC ACID | CABOT CORPORATION | 2002-07-23 | — | — | US | disclosed |
| US-4845100-A | WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-07-04 | — | — | US | disclosed |
| EP-0202760-A2 | Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-11-26 | — | — | EP | disclosed |