⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL537758 | 0.80 | — | — | |
| SCHEMBL11116271 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL9817999 | 0.77 | — | — | |
| SCHEMBL28175108 | 0.77 | — | — | |
| SCHEMBL28746606 | 0.77 | — | — | |
| Benzene SCHEMBL28219383 | 0.72 | ACHE (0.33) | — | |
| Carbamic Acid SCHEMBL28826074 | 0.72 | ACHE (0.47) | — | |
| Oxamate SCHEMBL29904945 | 0.70 | LDHA (0.50) | — | |
| Bicarbonate SCHEMBL27573917 | 0.65 | CA1 (0.39) | — | |
| Bicarbonate SCHEMBL27895499 | 0.65 | CA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103209957-A | Process for preparing aminoadamantyl carbamate derivatives | SHIONOGI & CO | 2013-07-17 | — | — | CN | disclosed |