⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15061542 | 0.65 | — | — | |
| SCHEMBL18506062 | 0.62 | — | — | |
| SCHEMBL19527451 | 0.56 | — | — | |
| SCHEMBL3555788 | 0.54 | — | — | |
| SCHEMBL7080927 | 0.54 | — | — | |
| SCHEMBL9066143 | 0.54 | — | — | |
| SCHEMBL13233500 | 0.53 | TSHR (0.38) | — | |
| SCHEMBL16076224 | 0.53 | — | — | |
| SCHEMBL2047391 | 0.53 | — | — | |
| SCHEMBL2038764 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4782165-A | BUNTE SALT | PFIZER INC. (US) | 1988-11-01 | — | — | US | disclosed |
| US-4709044-A | IMIDAZOLES | PFIZER INC. (US) | 1987-11-24 | — | — | US | disclosed |
| WO-1986002070-A1 | A PROCESS FOR PREPARING 4-METHYL-4-IMIDAZOLIN-2-ONE AND DERIVATIVES THEREOF | PFIZER INC. (US) | 1986-04-10 | — | — | WO | disclosed |
| WO-1986002069-A1 | BIOTIN INTERMEDIATES AND PROCESS THEREFOR | PFIZER INC. (US) | 1986-04-10 | — | — | WO | disclosed |