⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8531845 | 0.84 | MEN1 (0.38) | — | |
| SCHEMBL8529423 | 0.82 | KIF11 (0.38) | — | |
| SCHEMBL8528407 | 0.80 | PTPN1 (0.41) | — | |
| SCHEMBL8532183 | 0.80 | MEN1 (0.44) | — | |
| SCHEMBL8530829 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL8532545 | 0.79 | KIF11 (0.40) | — | |
| SCHEMBL8531385 | 0.78 | GRM4 (0.39) | — | |
| SCHEMBL8529305 | 0.77 | PTPN5 (0.47) | — | |
| SCHEMBL8531478 | 0.77 | PTPN1 (0.30) | — | |
| SCHEMBL8529288 | 0.76 | PTPN5 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0752999-B1 | 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1998-10-28 | — | — | EP | disclosed |
| US-5698541-A | DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS | BOEHRINGER MANNHEIM GMBH (DE) | 1997-12-16 | — | — | US | disclosed |