⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17386719 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7926682 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7935510 | 0.82 | NPC1 (0.32) | — | |
| SCHEMBL8903129 | 0.82 | PDCD1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1201256 | 0.81 | PDCD1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7646524 | 0.81 | PDCD1 (0.31) | — | |
| SCHEMBL21465280 | 0.77 | PDK2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7217378 | 0.77 | — | — | |
| SCHEMBL7034781 | 0.77 | PDCD1 (0.33) | — | |
| SCHEMBL5859348 | 0.77 | CHRNB2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2966096-B1 | METHOD FOR PRODUCING ETHYLENE/ -OLEFIN COPOLYMER | JAPAN POLYETHYLENE CORP (JP) | 2017-04-26 | — | — | EP | disclosed |
| EP-2966096-A1 | METHOD FOR PRODUCING ETHYLENE/ -OLEFIN COPOLYMER | Japan Polyethylene Corporation (JP) | 2016-01-13 | — | — | EP | disclosed |