⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12179096 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL5494441 | 0.70 | MAPT (0.32) | — | |
| SCHEMBL22413401 | 0.67 | — | — | |
| SCHEMBL17634994 | 0.59 | MAPT (0.35) | — | |
| SCHEMBL6187154 | 0.59 | — | — | |
| Trimethylammonium SCHEMBL22361190 | 0.57 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL1996926 | 0.57 | — | — | |
| SCHEMBL6443829 | 0.57 | — | — | |
| SCHEMBL16348731 | 0.57 | — | — | |
| SCHEMBL9569803 | 0.57 | TSHR (0.69) | — |
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-8772268-B2 | Bisphosphonamidate prodrugs and uses thereof | THE JOHNS HOPKINS UNIVERSITY (US) | 2014-07-08 | — | — | US | disclosed |
| US-8772268-B2 | Bisphosphonamidate prodrugs and uses thereof | THE JOHNS HOPKINS UNIVERSITY (US) | 2014-07-08 | — | — | US | disclosed |
| US-20130090311-A1 | BISPHOSPHONAMIDATE PRODRUGS AND USES THEREOF | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130090311-A1 | BISPHOSPHONAMIDATE PRODRUGS AND USES THEREOF | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-04-11 | — | — | US | disclosed |