⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27614667 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL27614553 | 0.79 | HPGD (0.30) | — | |
| SCHEMBL27595773 | 0.76 | L3MBTL1 (0.42) | — | |
| SCHEMBL27595778 | 0.76 | F2R (0.36) | — | |
| SCHEMBL27595847 | 0.75 | RAB9A (0.39) | — | |
| SCHEMBL27614433 | 0.72 | GABRA1 (0.47) | — | |
| SCHEMBL27614437 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL27614494 | 0.71 | RIPK1 (0.40) | — | |
| SCHEMBL27614485 | 0.71 | KMT2A (0.35) | — | |
| SCHEMBL14511395 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1589276-A | Multimer of acylphosphines and their derivatives | CIBA SC HOLDING AG (CH) | 2005-03-02 | — | — | CN | disclosed |