⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3209459 | 0.87 | MEN1 (0.33) | — | |
| SCHEMBL3151340 | 0.84 | MEN1 (0.47) | — | |
| SCHEMBL1066191 | 0.79 | — | — | |
| SCHEMBL10409113 | 0.78 | MEN1 (0.40) | — | |
| SCHEMBL1279347 | 0.76 | — | — | |
| SCHEMBL1279732 | 0.74 | — | — | |
| SCHEMBL3200848 | 0.71 | — | — | |
| SCHEMBL3226392 | 0.71 | — | — | |
| Perfluorocyclobutane SCHEMBL8841181 | 0.71 | MEN1 (0.42) | — | |
| SCHEMBL8841150 | 0.71 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1093283-A | Be used to the compositions and the method that reduce toxicity and strengthen drug effect | HEMAGEN PFC (US) | 1994-10-12 | — | — | CN | disclosed |