⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15177706 | 0.95 | CA1 (0.40) | — | |
| SCHEMBL30428546 | 0.84 | — | — | |
| SCHEMBL11983881 | 0.84 | — | — | |
| SCHEMBL11993675 | 0.81 | CA1 (0.37) | — | |
| SCHEMBL10773607 | 0.81 | CA1 (0.35) | — | |
| SCHEMBL10060033 | 0.79 | — | — | |
| SCHEMBL12765188 | 0.79 | — | — | |
| SCHEMBL20757738 | 0.79 | — | — | |
| SCHEMBL16705637 | 0.79 | — | — | |
| SCHEMBL12508092 | 0.79 | — | — |
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-2003078438-A1 | CARBAMATES AS HIV PROTEASE INHIBITORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2003-09-25 | — | — | WO | disclosed |