⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7791235 | 0.84 | NLRP3 (0.38) | — | |
| SCHEMBL4204792 | 0.82 | — | — | |
| SCHEMBL22065351 | 0.81 | — | — | |
| SCHEMBL7871538 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL8975702 | 0.78 | NLRP3 (0.43) | — | |
| SCHEMBL23199076 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL16659676 | 0.76 | HMGCR (0.33) | — | |
| SCHEMBL7871528 | 0.76 | CYP2C19 (0.35) | — | |
| SCHEMBL13484191 | 0.75 | MAOA (0.31) | — | |
| SCHEMBL905867 | 0.74 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050090498-A1 | 3-Quinolin-2(1h)-ylideneindolin-2-one derivative | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2005-04-28 | — | — | US | disclosed |
| EP-1396490-A1 | 3-QUINOLINE-2-(1H)-YLIDENEINDOLIN-2-ONE DERIVATIVES | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2004-03-10 | — | — | EP | disclosed |
| US-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| US-6583146-B1 | Adenosine A3 receptor antagonist; asthma; 5-amino-3-(4-methoxyphenyl)-2-(4-pyridyl)-7H-thiazolo(3,2-a) pyrimidin-7-one | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-06-24 | — | — | US | disclosed |
| US-6479536-B1 | Benzofuran derivatives, process for the preparation of the same and uses thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-11-12 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |
| EP-1148059-A1 | THIAZOLOPYRIMIDINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-10-24 | — | — | EP | disclosed |
| US-6242600-B1 | ANTIISCHEMIC AGENTS, ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-0970071-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039324-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-11 | — | — | WO | disclosed |