⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24787 | 0.80 | CA1 (0.32) | — | |
| SCHEMBL5496085 | 0.74 | — | — | |
| SCHEMBL1012304 | 0.74 | — | — | |
| SCHEMBL100094 | 0.72 | — | — | |
| SCHEMBL184515 | 0.72 | MMP2 (0.34) | — | |
| SCHEMBL28281167 | 0.72 | TSHR (0.45) | — | |
| SCHEMBL6056082 | 0.72 | KMT2A (0.41) | — | |
| SCHEMBL184373 | 0.72 | KMT2A (0.41) | — | |
| Water SCHEMBL1155688 | 0.72 | TSHR (0.45) | — | |
| Water SCHEMBL27739593 | 0.72 | TSHR (0.45) | — |
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-9493455-B2 | Azaindole derivatives as inhibitors of protein kinases | ORIBASE PHARMA (FR) | 2016-11-15 | — | — | US | disclosed |
| US-20150353540-A1 | AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES | ORIBASE PHARMA (FR) | 2015-12-10 | — | — | US | disclosed |
| US-20130296361-A1 | Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors | ALLERGAN, INC. | 2013-11-07 | — | — | US | disclosed |
| US-8507682-B2 | Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors | ALLERGAN, INC. (US) | 2013-08-13 | — | — | US | disclosed |
| US-20120208840-A1 | Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors | ALLERGAN, INC. (US) | 2012-08-16 | — | — | US | disclosed |
| CN-87103323-A | The method for preparing new Dopamine HCL, hydroxylase inhibitors | — | 1988-02-03 | — | — | CN | disclosed |