⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17010911 | 0.80 | — | — | |
| SCHEMBL2150129 | 0.77 | HSP90AA1 (0.30) | — | |
| SCHEMBL2367663 | 0.73 | — | — | |
| SCHEMBL17010917 | 0.72 | — | — | |
| SCHEMBL18371542 | 0.71 | — | — | |
| SCHEMBL18433403 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL19219825 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL10860124 | 0.67 | CYP2A6 (0.34) | — | |
| SCHEMBL10857945 | 0.67 | CYP2A6 (0.42) | — | |
| SCHEMBL14608697 | 0.66 | PKM (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013010615-A1 | CONJUGATED POLYMERS | MERCK PATENT GMBH (DE) | 2013-01-24 | — | — | WO | disclosed |