⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1179397 | 0.79 | — | — | |
| SCHEMBL30463155 | 0.79 | — | — | |
| SCHEMBL765054 | 0.77 | — | — | |
| SCHEMBL31648802 | 0.77 | — | — | |
| SCHEMBL29468017 | 0.77 | — | — | |
| SCHEMBL31121578 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL1178615 | 0.77 | ALDH1A1 (0.95) | — | |
| Hydrochloric Acid SCHEMBL4224664 | 0.77 | ALDH1A1 (0.95) | — | |
| SCHEMBL2768593 | 0.77 | — | — | |
| SCHEMBL4212829 | 0.77 | — | — |
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-0580633-A1 | HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1994-02-02 | — | — | EP | claimed |