⚠ 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL28263914 | 0.92 | — | — | |
| SCHEMBL29389987 | 0.92 | — | — | |
| SCHEMBL18660494 | 0.92 | — | — | |
| SCHEMBL7968855 | 0.92 | KDM4E (0.50) | — | |
| SCHEMBL3361754 | 0.92 | — | — | |
| SCHEMBL6536 | 0.92 | — | — | |
| SCHEMBL220275 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL4869908 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6296174 | 0.89 | — | — | |
| Bromide SCHEMBL6626855 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109952303-A | TYK2 inhibitor and application thereof | 林伯士拉克许米公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-108884068-A | 1- cyano-pyrolidin derivative as DUB inhibitor | 特殊治疗有限公司 | 2018-11-23 | — | — | CN | disclosed |