⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29190401 | 0.81 | SOAT1 (0.38) | — | |
| SCHEMBL4115029 | 0.79 | — | — | |
| SCHEMBL6238006 | 0.79 | — | — | |
| SCHEMBL11261830 | 0.76 | — | — | |
| SCHEMBL21811517 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL21811435 | 0.75 | HCAR2 (0.43) | — | |
| SCHEMBL6856333 | 0.74 | — | — | |
| SCHEMBL21811683 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL21811685 | 0.73 | CTSS (0.34) | — | |
| SCHEMBL21811527 | 0.72 | ATM (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574113-A | Zoledronic acid intermediate compound | 鲁南制药集团股份有限公司 | 2021-03-30 | — | — | CN | disclosed |