⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17244863 | 0.74 | RIPK1 (0.31) | — | |
| SCHEMBL21191722 | 0.74 | CA12 (0.32) | — | |
| SCHEMBL24375660 | 0.55 | — | — | |
| SCHEMBL13722310 | 0.53 | — | — | |
| SCHEMBL7855215 | 0.53 | HTT (0.32) | — | |
| SCHEMBL2756220 | 0.53 | — | — | |
| SCHEMBL18806997 | 0.52 | — | — | |
| SCHEMBL25453787 | 0.52 | — | — | |
| SCHEMBL12169789 | 0.50 | — | — | |
| SCHEMBL2756085 | 0.50 | HTT (0.44) | — |
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-9085555-B2 | Complement pathway modulators and uses thereof | NOVARTIS AG (CH) | 2015-07-21 | — | — | US | disclosed |
| US-20120295884-A1 | Complement pathway modulators and uses thereof | NOVARTIS AG (CH) | 2012-11-22 | — | — | US | disclosed |