⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19981935 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL22023597 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL18389694 | 0.76 | POLB (0.34) | — | |
| SCHEMBL22825220 | 0.75 | CYP2C19 (0.36) | — | |
| SCHEMBL18885707 | 0.72 | LMNA (0.40) | — | |
| SCHEMBL22915508 | 0.72 | GPBAR1 (0.38) | — | |
| SCHEMBL19013129 | 0.71 | FOLH1 (0.36) | — | |
| SCHEMBL24235519 | 0.71 | CYP19A1 (0.31) | — | |
| SCHEMBL13034098 | 0.70 | CYP19A1 (0.31) | — | |
| SCHEMBL23188751 | 0.69 | HDAC3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180079819-A1 | ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF | IMMUNOGEN, INC. | 2018-03-22 | — | — | US | disclosed |