⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16922150 | 1.00 | — | — | |
| SCHEMBL6962688 | 0.81 | — | — | |
| SCHEMBL5557996 | 0.81 | — | — | |
| SCHEMBL7019360 | 0.79 | — | — | |
| SCHEMBL607166 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3721261 | 0.77 | BLM (0.42) | — | |
| SCHEMBL5264022 | 0.77 | — | — | |
| SCHEMBL7955999 | 0.77 | — | — | |
| SCHEMBL11229957 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL2164758 | 0.76 | BLM (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220275018-A1 | NOVEL SPIROBICYCLIC INTERMEDIATES | JANSSEN PHARMACEUTICA NV (BE) | 2022-09-01 | — | — | US | disclosed |
| EP-2018364-B1 | THERAPEUTIC FLUOROETHYL UREAS | ALLERGAN INC (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2011131749-A1 | NEW 14 AND 15 MEMBERED MACROLIDES FOR THE TREATMENT OF NEUTROPHIL DOMINATED INFLAMMATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2011-10-27 | — | — | WO | disclosed |