⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125358 | 0.72 | — | — | |
| SCHEMBL3909730 | 0.68 | — | — | |
| SCHEMBL9243350 | 0.68 | — | — | |
| SCHEMBL15063872 | 0.68 | — | — | |
| SCHEMBL2353186 | 0.68 | — | — | |
| SCHEMBL75197 | 0.68 | — | — | |
| SCHEMBL6505626 | 0.68 | — | — | |
| SCHEMBL439377 | 0.67 | BRD4 (0.37) | — | |
| SCHEMBL4278064 | 0.67 | TDP1 (0.39) | — | |
| SCHEMBL7626926 | 0.66 | CYP1A2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6884815-B1 | High affinity small molecule C5a receptor modulators | NEUROGEN CORPORATION (US) | 2005-04-26 | — | — | US | claimed |