⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2840150 | 0.94 | — | — | |
| SCHEMBL28907895 | 0.74 | HRH3 (0.46) | — | |
| SCHEMBL4087305 | 0.72 | — | — | |
| SCHEMBL6830729 | 0.72 | — | — | |
| SCHEMBL21985515 | 0.71 | HRH3 (0.53) | — | |
| SCHEMBL2180105 | 0.70 | POLB (1.00) | — | |
| SCHEMBL22691929 | 0.70 | POLB (1.00) | — | |
| SCHEMBL11948189 | 0.68 | HRH3 (0.59) | — | |
| SCHEMBL378213 | 0.67 | — | — | |
| SCHEMBL25433068 | 0.67 | POLB (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0510066-A4 | 1-AZETIDYL AND 1-HEXAMETHYLENIMINE ALKYL OR ARYL BISPHOSPHONIC ACIDS AND THEIR USE AS PHARMACOLOGICAL AGENTS | — | 1992-12-02 | — | — | EP | disclosed |
| EP-0510066-A1 | 1-AZETIDYL AND 1-HEXAMETHYLENIMINE ALKYL OR ARYL BISPHOSPHONIC ACIDS AND THEIR USE AS PHARMACOLOGICAL AGENTS | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1992-10-28 | — | — | EP | disclosed |
| WO-1991010646-A1 | 1-AZETIDYL AND 1-HEXAMETHYLENIMINE ALKYL OR ARYL BISPHOSPHONIC ACIDS AND THEIR USE AS PHARMACOLOGICAL AGENTS | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1991-07-25 | — | — | WO | disclosed |