⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9488744 | 1.00 | — | — | |
| SCHEMBL9487587 | 1.00 | — | — | |
| SCHEMBL8401594 | 0.81 | CACNA2D1 (0.33) | — | |
| SCHEMBL1873757 | 0.78 | — | — | |
| SCHEMBL12549579 | 0.78 | — | — | |
| SCHEMBL23241590 | 0.78 | SLC22A6 (0.38) | — | |
| SCHEMBL13207761 | 0.78 | — | — | |
| SCHEMBL1513790 | 0.77 | — | — | |
| SCHEMBL8400578 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL17301099 | 0.75 | TSHR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240400499-A1 | NOVEL AMINO ACID DERIVATIVES | PEPTIDREAM INC (JP) | 2024-12-05 | — | — | US | claimed |
| US-20240400499-A1 | NOVEL AMINO ACID DERIVATIVES | PEPTIDREAM INC (JP) | 2024-12-05 | — | — | US | disclosed |
| EP-0350002-B1 | DIPHOSPHONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THOSE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-01-13 | — | — | EP | disclosed |
| US-5002937-A | Diphosphonic acid alkyloxyalkylamines for bone disorders | BOEHRINGER MANNHEIM GMBH (DE) | 1991-03-26 | — | — | US | disclosed |
| CN-1039248-A | The preparation method of new bisphosphate derivative | BOEHRINGER MANNHEIM GMBH (DE) | 1990-01-31 | — | — | CN | disclosed |
| EP-0350002-A1 | Diphosphonic-acid derivatives, process for their preparation and medicines containing those compounds | Roche Diagnostics GmbH (DE) | 1990-01-10 | — | — | EP | disclosed |