⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15668036 | 0.86 | TP53 (0.33) | — | |
| SCHEMBL13832640 | 0.81 | CA12 (0.31) | — | |
| SCHEMBL15667932 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL436014 | 0.69 | — | — | |
| SCHEMBL15668001 | 0.66 | ATR (0.35) | — | |
| SCHEMBL13741222 | 0.63 | — | — | |
| SCHEMBL13826916 | 0.61 | KMT2A (0.39) | — | |
| SCHEMBL9626929 | 0.60 | DHODH (0.41) | — | |
| SCHEMBL27619925 | 0.59 | ALDH1A1 (0.49) | — | |
| SCHEMBL13738843 | 0.58 | KMT2A (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595988-A1 | TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME | Zafgen, Inc. (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012012642-A1 | TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME | ZAFGEN CORPORATION (US) | 2012-01-26 | — | — | WO | disclosed |