⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28620 | 0.96 | — | — | |
| Methane SCHEMBL28442017 | 0.92 | — | — | |
| Potassium SCHEMBL604017 | 0.92 | — | — | |
| SCHEMBL2657477 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL132076 | 0.92 | — | — | |
| Ethane SCHEMBL28450793 | 0.88 | — | — | |
| Ethylene SCHEMBL9158415 | 0.88 | — | — | |
| Benzene SCHEMBL9444166 | 0.85 | — | — | |
| SCHEMBL11581542 | 0.85 | — | — | |
| SCHEMBL28830587 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030055297-A1 | An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation | ABBOTT LABORATORIES | 2003-03-20 | — | — | US | disclosed |
| WO-2002081441-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS | ABBOTT LABORATORIES (US) | 2002-10-17 | — | — | WO | disclosed |