⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8161032 | 0.82 | — | — | |
| SCHEMBL8161031 | 0.82 | — | — | |
| SCHEMBL19196479 | 0.77 | — | — | |
| SCHEMBL465930 | 0.75 | PTPN1 (0.31) | — | |
| SCHEMBL465929 | 0.75 | PTPN1 (0.31) | — | |
| SCHEMBL14481257 | 0.75 | — | — | |
| SCHEMBL5571410 | 0.74 | KMT2A (0.34) | — | |
| SCHEMBL12556842 | 0.73 | — | — | |
| SCHEMBL10895230 | 0.72 | — | — | |
| SCHEMBL2866630 | 0.72 | PTPN1 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2753626-B1 | LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT | UNIV CALIFORNIA (US) | 2018-08-08 | — | — | EP | disclosed |