⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL358076 | 0.82 | — | — | |
| SCHEMBL11214086 | 0.75 | — | — | |
| SCHEMBL2601753 | 0.72 | CHRM2 (0.36) | — | |
| SCHEMBL5268953 | 0.72 | DNM1 (0.38) | — | |
| SCHEMBL9400789 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL9175197 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL359116 | 0.69 | — | — | |
| SCHEMBL43611 | 0.69 | — | — | |
| Bromide SCHEMBL11151119 | 0.69 | DNM1 (0.44) | — | |
| SCHEMBL16860019 | 0.69 | DNM1 (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-0639566-B1 | CYCLIC COMPOUND | SANTEN PHARMACEUTICAL CO LTD (JP) | 2001-06-20 | — | — | EP | claimed |