⚠ 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 | |
|---|---|---|---|---|
| 1,4-Dichlorobenzene SCHEMBL2043383 | 0.73 | — | — | |
| Chlorobenzene SCHEMBL1332470 | 0.65 | — | — | |
| Chlorobenzene SCHEMBL13994765 | 0.65 | — | — | |
| SCHEMBL12253366 | 0.61 | — | — | |
| SCHEMBL12546987 | 0.60 | — | — | |
| 4-Chloroaniline SCHEMBL13883816 | 0.58 | — | — | |
| 1,3,5-Trichlorobenzene SCHEMBL23581664 | 0.57 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL22661016 | 0.55 | — | — | |
| SCHEMBL29466885 | 0.55 | — | — | |
| SCHEMBL7713 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616467-A1 | SUBSTITUTED AZAINDOLES | Concert Pharmaceuticals Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| US-20120208837-A1 | SUBSTITUTED AZAINDOLES | CONCERT PHARMACEUTICALS INC. | 2012-08-16 | — | — | US | disclosed |
| WO-2012037060-A1 | SUBSTITUTED AZAINDOLES | CONCERT PHARMACEUTICALS INC. (US) | 2012-03-22 | — | — | WO | disclosed |