⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102758 | 0.78 | — | — | |
| SCHEMBL27591446 | 0.78 | — | — | |
| SCHEMBL29281298 | 0.73 | — | — | |
| Bromide SCHEMBL4857919 | 0.73 | — | — | |
| Ethylene SCHEMBL11049125 | 0.70 | — | — | |
| SCHEMBL4856201 | 0.68 | — | — | |
| Formic Acid SCHEMBL169950 | 0.67 | — | — | |
| Methylene Chloride SCHEMBL28991943 | 0.67 | — | — | |
| Hydroxyamine SCHEMBL28894782 | 0.67 | — | — | |
| Formic Acid SCHEMBL8569534 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2009075778-A2 | NONPEPTIDIC INHIBITORS OF CRUZAIN | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-06-18 | — | — | WO | disclosed |