⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20715 | 0.77 | — | — | |
| Hypochlorous Acid SCHEMBL4340130 | 0.77 | — | — | |
| SCHEMBL24665 | 0.77 | — | — | |
| SCHEMBL6258096 | 0.76 | — | — | |
| SCHEMBL6337 | 0.76 | — | — | |
| SCHEMBL10525209 | 0.76 | — | — | |
| SCHEMBL369 | 0.76 | — | — | |
| SCHEMBL8442506 | 0.76 | — | — | |
| SCHEMBL574380 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL29186441 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117343100-A | Preparation method of imidazole bisphosphate medicine | 山西工学院 | 2024-01-05 | — | — | CN | disclosed |
| CN-115057884-A | Method for preparing glyphosate from aminomethyl phosphonic acid | 湖北泰盛化工有限公司 | 2022-09-16 | — | — | CN | disclosed |
| US-5206253-A | DISPHOSPHONIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM, GMBH (DE) | 1993-04-27 | — | — | US | disclosed |
| US-4927814-A | Diphosphonate derivatives, pharmaceutical compositions and methods of use | BOEHRINGER MANNHEIM GMBH (DE) | 1990-05-22 | — | — | US | disclosed |
| US-4719203-A | CALCIUM METABOLISM DISORDERS | BOEHRINGER MANNHEIM GMBH (DE) | 1988-01-12 | — | — | US | disclosed |