⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18389544 | 0.91 | — | — | |
| SCHEMBL22923664 | 0.83 | — | — | |
| SCHEMBL26034150 | 0.80 | CNR1 (0.33) | — | |
| SCHEMBL26716905 | 0.79 | — | — | |
| SCHEMBL25851494 | 0.75 | CCR2 (0.32) | — | |
| SCHEMBL22923613 | 0.75 | MEN1 (0.40) | — | |
| SCHEMBL20414835 | 0.74 | — | — | |
| SCHEMBL25977442 | 0.74 | HPGD (0.36) | — | |
| SCHEMBL18389590 | 0.74 | — | — | |
| SCHEMBL18389213 | 0.73 | OTC (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 |
|---|---|---|---|---|---|---|---|
| WO-2021013693-A1 | ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2021-01-28 | — | — | WO | disclosed |