⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3182187 | 0.75 | — | — | |
| SCHEMBL360351 | 0.73 | — | — | |
| SCHEMBL28687682 | 0.73 | — | — | |
| SCHEMBL66679 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL18725615 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL926874 | 0.71 | — | — | |
| SCHEMBL21832235 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL146984 | 0.71 | CYP3A4 (0.39) | — | |
| SCHEMBL443901 | 0.71 | RELA (0.40) | — | |
| SCHEMBL19283671 | 0.71 | — | — |
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-107073131-B | Conjugates and conjugation reagents | 宝力泰锐克斯有限公司 | 2021-05-25 | — | — | CN | disclosed |