⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9335048 | 0.82 | — | — | |
| SCHEMBL9335073 | 0.76 | — | — | |
| SCHEMBL9336556 | 0.70 | ADRA2A (0.34) | — | |
| SCHEMBL9335032 | 0.64 | — | — | |
| SCHEMBL9336494 | 0.62 | BACE1 (0.33) | — | |
| SCHEMBL9334918 | 0.59 | — | — | |
| SCHEMBL9516530 | 0.58 | — | — | |
| SCHEMBL9334931 | 0.58 | — | — | |
| SCHEMBL9334851 | 0.57 | INMT (0.36) | — | |
| SCHEMBL9338698 | 0.57 | S1PR1 (0.31) | — |
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-1991003481-A1 | NEW DIPHOSPHONIC ACID DERIVATIVES CONTAINING AMIDINE GROUPS, PROCESS FOR PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1991-03-21 | — | — | WO | disclosed |