⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16315943 | 0.87 | CYP1A2 (0.38) | — | |
| SCHEMBL5975309 | 0.79 | CYP1A2 (0.46) | — | |
| SCHEMBL12835176 | 0.77 | — | — | |
| SCHEMBL703179 | 0.74 | CYP1A2 (0.57) | — | |
| SCHEMBL10641604 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL2167059 | 0.72 | CYP1A2 (0.55) | — | |
| SCHEMBL11050214 | 0.72 | CYP1A2 (0.55) | — | |
| SCHEMBL476037 | 0.72 | CYP1A2 (0.55) | — | |
| SCHEMBL4197495 | 0.72 | CYP1A2 (0.55) | — | |
| SCHEMBL3468424 | 0.72 | CYP1A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2431369-A2 | Carboline derivatives useful in the inhibition of angiogenesis | PTC Therapeutics, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |