⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16571549 | 0.79 | — | — | |
| SCHEMBL13075600 | 0.79 | — | — | |
| SCHEMBL3076126 | 0.79 | — | — | |
| SCHEMBL115951 | 0.79 | — | — | |
| SCHEMBL2421740 | 0.79 | — | — | |
| SCHEMBL1466524 | 0.79 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL28995499 | 0.78 | AGER (0.64) | — | |
| Hydrochloric Acid SCHEMBL29059238 | 0.78 | AGER (0.64) | — | |
| Hydrochloric Acid SCHEMBL10377375 | 0.78 | NPC1 (0.47) | — | |
| Iodide SCHEMBL8199535 | 0.77 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9586914-B2 | Modulators of C3a receptors | THE UNIVERSITY OF QUEENSLAND (AU) | 2017-03-07 | — | — | US | disclosed |
| US-20140302069-A1 | MODULATORS OF C3A RECEPTORS | THE UNIVERSITY OF QUEENSLAND (AU) | 2014-10-09 | — | — | US | disclosed |