⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7644421 | 0.93 | TLR4 (0.50) | — | |
| SCHEMBL7640959 | 0.91 | TLR4 (0.48) | — | |
| SCHEMBL7635039 | 0.91 | TLR4 (0.48) | — | |
| SCHEMBL7640144 | 0.91 | TLR4 (0.48) | — | |
| SCHEMBL7640330 | 0.91 | TLR4 (0.48) | — | |
| SCHEMBL7638703 | 0.91 | TLR4 (0.48) | — | |
| SCHEMBL7640433 | 0.91 | TLR4 (0.48) | — | |
| SCHEMBL11181948 | 0.86 | TLR4 (0.47) | — | |
| SCHEMBL20394577 | 0.82 | MAPT (0.45) | — | |
| SCHEMBL5201714 | 0.80 | TLR4 (0.55) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105517574-B | The combination product of hepatitis C virus inhibitors | 百时美施贵宝公司 | 2019-01-18 | — | — | CN | disclosed |
| US-8598199-B2 | Octahydropentalene compounds as chemokine receptor antagonists | ABBVIE INC. (US) | 2013-12-03 | — | — | US | disclosed |
| US-20110178096-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2011-07-21 | — | — | US | disclosed |
| US-7939544-B2 | Octahydropentalene compounds as chemokine receptor antagonists | ABBOTT LABORATORIES (US) | 2011-05-10 | — | — | US | disclosed |
| EP-2203051-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | Abbott Laboratories (US) | 2010-07-07 | — | — | EP | disclosed |
| US-20090118298-A1 | Octahydropentalene compounds as chemokine receptor antagonists | ABBVIE INC. | 2009-05-07 | — | — | US | disclosed |
| WO-2009042193-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2009-04-02 | — | — | WO | disclosed |
| US-6482966-B2 | REDUCING A CROSSLINK-CYCLIZED CYCLOPENTANONE WITH AN ALKALI METAL HYDRIDE, AND THEN REATING THE RESULTING CROSSLINK-CYCLIZED CYCLOPENTENOL IS WITH A DEHYDRATING AGENT | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2002-11-19 | — | — | US | disclosed |
| US-20010012902-A1 | Crosslink-cyclized cyclopentadiene and dihalobis type metal compound containing same as ligand | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2001-08-09 | — | — | US | disclosed |
| EP-1122229-A1 | Process for the preparation of condensed cyclopentadiene derivatives, 1, 3 disubstituted derivatives and metallocene type compounds containing them as ligand | HONSHU CHEMICAL INDUSTRY CO. LTD. (JP) | 2001-08-08 | — | — | EP | disclosed |
| EP-0335827-B1 | PROCESS FOR THE PREPARATION OF BICYCLO(3.3.0)OCTAN-3-ONE DERIVATIVES | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-07-28 | — | — | EP | disclosed |