⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15282616 | 0.85 | SLC1A2 (0.33) | — | |
| SCHEMBL1837522 | 0.82 | — | — | |
| SCHEMBL15282862 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL15297997 | 0.80 | — | — | |
| SCHEMBL29860163 | 0.79 | — | — | |
| SCHEMBL3706334 | 0.78 | CYP3A4 (0.34) | — | |
| SCHEMBL11502358 | 0.75 | IDO1 (0.30) | — | |
| SCHEMBL5323151 | 0.73 | CYP3A4 (0.34) | — | |
| SCHEMBL15568763 | 0.71 | CYP3A4 (0.37) | — | |
| SCHEMBL27181788 | 0.71 | CYP3A4 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |