⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3232663 | 0.81 | — | — | |
| SCHEMBL31560012 | 0.79 | — | — | |
| SCHEMBL29257041 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL7172992 | 0.75 | POLA1 (0.33) | — | |
| SCHEMBL23648250 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL30142933 | 0.72 | HTT (0.36) | — | |
| SCHEMBL21950864 | 0.72 | HTT (0.36) | — | |
| SCHEMBL30142934 | 0.72 | HTT (0.36) | — | |
| Acetic Acid SCHEMBL9260605 | 0.72 | HTT (0.33) | — | |
| SCHEMBL4619066 | 0.70 | ALDH1A1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2230913-A1 | INSECTICIDAL COMPOUNDS | Syngenta Participations AG (CH) | 2010-09-29 | — | — | EP | disclosed |
| EP-1937268-A4 | INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORP (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2009077197-A1 | INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2009-06-25 | — | — | WO | disclosed |
| EP-1937268-A2 | INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF | Inotek Pharmaceuticals Corporation (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007025009-A2 | INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2007-03-01 | — | — | WO | disclosed |