⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL8979440 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL3446689 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL8979459 | 0.80 | — | — | |
| SCHEMBL8979471 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL139663 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL8979454 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL4561346 | 0.68 | ALDH1A1 (0.36) | — | |
| Diethylaniline SCHEMBL9060443 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL8979478 | 0.63 | — | — | |
| Potassium Ion SCHEMBL18123685 | 0.63 | IDH1 (0.36) | — |
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-0710663-A1 | Boron-containing compound, its polymer, catalyst comprising the polymer and metallocene compound, and process for producing polyolefin | Japan Polyolefins Co., Ltd. (JP) | 1996-05-08 | — | — | EP | disclosed |