⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16385856 | 0.77 | HTR2C (0.58) | — | |
| SCHEMBL10446749 | 0.77 | HTR2C (0.44) | — | |
| SCHEMBL12017094 | 0.73 | HTR7 (0.45) | — | |
| SCHEMBL23095550 | 0.73 | KDM1A (0.48) | — | |
| SCHEMBL18473987 | 0.73 | HTR2C (0.41) | — | |
| SCHEMBL14143351 | 0.71 | HTR2C (0.39) | — | |
| SCHEMBL10446532 | 0.70 | HTR2C (0.40) | — | |
| SCHEMBL20014806 | 0.69 | SLC6A2 (0.43) | — | |
| SCHEMBL16158045 | 0.69 | NOS3 (0.37) | — | |
| SCHEMBL23848434 | 0.69 | ACHE (0.40) | — |
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-2381778-B1 | C5AR ANTAGONISTS | CHEMOCENTRYX INC (US) | 2016-06-08 | — | — | EP | disclosed |