⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14218908 | 0.69 | — | — | |
| SCHEMBL15730452 | 0.61 | DRD4 (0.33) | — | |
| SCHEMBL13763200 | 0.61 | DRD4 (0.33) | — | |
| SCHEMBL12062375 | 0.61 | DRD4 (0.33) | — | |
| SCHEMBL18155847 | 0.60 | — | — | |
| SCHEMBL254577 | 0.59 | — | — | |
| SCHEMBL12002145 | 0.58 | CHRM2 (0.34) | — | |
| SCHEMBL12051086 | 0.58 | DRD4 (0.34) | — | |
| SCHEMBL14767403 | 0.58 | — | — | |
| SCHEMBL23057875 | 0.57 | DRD4 (0.31) | — |
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-20150174069-A1 | METHODS OF TREATING ARTHRITIS | TAIWAN LIPOSOME COMPANY, LTD. (TW) | 2015-06-25 | — | — | US | disclosed |