⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5731973 | 0.81 | CNR1 (0.41) | — | |
| SCHEMBL5164470 | 0.81 | — | — | |
| SCHEMBL12006685 | 0.81 | CNR1 (0.41) | — | |
| SCHEMBL14777822 | 0.81 | — | — | |
| SCHEMBL9442535 | 0.79 | — | — | |
| SCHEMBL21141093 | 0.77 | NR1H2 (0.41) | — | |
| SCHEMBL20376452 | 0.77 | CNR1 (0.39) | — | |
| SCHEMBL13539407 | 0.76 | CNR1 (0.38) | — | |
| SCHEMBL73299 | 0.75 | — | — | |
| SCHEMBL13706022 | 0.75 | CNR1 (0.47) | — |
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-1995002422-A1 | METHOD FOR CONJUGATING NUCLEOTIDES AND NUCLEOSIDES TO DISULFIDE-, MALEIMIDE-, AND THIOL-CONTAINING COMPOUNDS | WELTMAN JOEL K (US) | 1995-01-26 | — | — | WO | disclosed |