⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2454337 | 0.63 | — | — | |
| SCHEMBL487087 | 0.60 | KDM4E (0.35) | — | |
| SCHEMBL8728384 | 0.60 | — | — | |
| SCHEMBL20159064 | 0.60 | MEN1 (0.30) | — | |
| SCHEMBL11857821 | 0.60 | — | — | |
| SCHEMBL9403423 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL6741838 | 0.58 | KDM4E (0.33) | — | |
| SCHEMBL15139597 | 0.58 | ALDH1A1 (0.31) | — | |
| SCHEMBL19458192 | 0.56 | — | — | |
| SCHEMBL12604237 | 0.54 | — | — |
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-2447264-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2012-05-02 | — | — | EP | disclosed |
| WO-2010150840-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2010-12-29 | — | — | WO | disclosed |