⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL6357628 | 0.89 | — | — | |
| SCHEMBL8965962 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7080140 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3693818 | 0.61 | — | — | |
| SCHEMBL21330070 | 0.61 | — | — | |
| SCHEMBL6349950 | 0.59 | CTSD (0.33) | — | |
| SCHEMBL4651434 | 0.59 | — | — | |
| SCHEMBL8189684 | 0.57 | — | — | |
| SCHEMBL20816534 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL146138 | 0.57 | — | — |
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-1004604-A2 | Catalyst for production of vinyl-based polymer and process for production of vinyl-based aromatic polymer | IDEMITSU KOSAN CO., LTD. (JP) | 2000-05-31 | — | — | EP | claimed |