⚠ 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 SCHEMBL31506646 | 0.97 | — | — | |
| SCHEMBL17039188 | 0.78 | — | — | |
| SCHEMBL2600236 | 0.75 | — | — | |
| SCHEMBL24060807 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL4551162 | 0.71 | — | — | |
| SCHEMBL17036510 | 0.69 | — | — | |
| SCHEMBL17039192 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL17080481 | 0.67 | — | — | |
| SCHEMBL18975190 | 0.66 | — | — | |
| SCHEMBL1987796 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2215085-B1 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2011-09-07 | — | — | EP | claimed |
| WO-2023235433-A1 | BICYCLIC INHIBITORS OF IRAK | RIGEL PHARMACEUTICALS, INC. (US) | 2023-12-07 | — | — | WO | disclosed |
| US-9828396-B2 | Alkyne compounds for treatment of complement mediated disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-11-28 | — | — | US | disclosed |
| US-20150239868-A1 | Alkyne Compounds for Treatment of Complement Mediated Disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2015-08-27 | — | — | US | disclosed |