⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10961500 | 0.73 | — | — | |
| SCHEMBL7869338 | 0.69 | — | — | |
| SCHEMBL8371094 | 0.69 | — | — | |
| SCHEMBL30593541 | 0.67 | — | — | |
| SCHEMBL20609965 | 0.67 | — | — | |
| SCHEMBL7872859 | 0.67 | — | — | |
| SCHEMBL19598927 | 0.67 | — | — | |
| SCHEMBL23992 | 0.65 | — | — | |
| SCHEMBL30487170 | 0.65 | — | — | |
| SCHEMBL2686745 | 0.65 | — | — |
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-4143125-A | CALCULUS-INHIBITING COMPOSITIONS AND METHOD | MONSANTO COMPANY (US) | 1979-03-06 | — | — | US | disclosed |