⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9750504 | 0.76 | — | — | |
| SCHEMBL11645535 | 0.69 | — | — | |
| SCHEMBL11805715 | 0.67 | — | — | |
| SCHEMBL22638720 | 0.67 | — | — | |
| Trichloroethane SCHEMBL2842181 | 0.65 | — | — | |
| SCHEMBL11510665 | 0.65 | — | — | |
| SCHEMBL20374471 | 0.63 | — | — | |
| SCHEMBL10604193 | 0.62 | — | — | |
| SCHEMBL12855564 | 0.62 | — | — | |
| Chloromethane SCHEMBL8094945 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011117749-A1 | COMPOUND AND METHOD FOR THE TREATMENT OF PAIN | KANDULA MAHESH (IN) | 2011-09-29 | — | — | WO | disclosed |