⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27987813 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL220322 | 0.82 | — | — | |
| SCHEMBL4540450 | 0.82 | DNM1 (0.45) | — | |
| SCHEMBL2479083 | 0.80 | — | — | |
| SCHEMBL5404425 | 0.80 | — | — | |
| SCHEMBL27574241 | 0.79 | DNM1 (0.43) | — | |
| SCHEMBL11322997 | 0.79 | DNM1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL9013083 | 0.78 | TSHR (0.38) | — | |
| Chloroform SCHEMBL2961248 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL28656135 | 0.77 | DNM1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1131202-C | Calcium receptor-active compounds | KIRIN BREWERY (JP) | 2003-12-17 | — | — | CN | disclosed |
| CN-1225083-A | Calcium receptor-active compounds | KIRIN BREWERY (JP) | 1999-08-04 | — | — | CN | disclosed |