⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4964694 | 1.00 | — | — | |
| SCHEMBL4964702 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28488956 | 0.97 | — | — | |
| SCHEMBL19545605 | 0.83 | PPARA (0.46) | — | |
| SCHEMBL15356629 | 0.79 | — | — | |
| SCHEMBL16807855 | 0.79 | — | — | |
| SCHEMBL11797069 | 0.78 | LMNA (0.37) | — | |
| SCHEMBL585109 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL585108 | 0.78 | TSHR (0.50) | — | |
| Fluoride SCHEMBL14121315 | 0.77 | KISS1R (0.42) | — |
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-2021212638-A1 | CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS | HANGZHOU DAC BIOTECH CO., LTD. (CN) | 2021-10-28 | — | — | WO | disclosed |