⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24946123 | 0.89 | KDM4E (0.38) | — | |
| SCHEMBL971440 | 0.86 | KDM4E (0.63) | — | |
| SCHEMBL8913688 | 0.86 | CNR1 (0.38) | — | |
| SCHEMBL12918527 | 0.84 | CNR1 (0.43) | — | |
| SCHEMBL21986166 | 0.82 | CNR1 (0.42) | — | |
| SCHEMBL8443686 | 0.82 | CNR1 (0.42) | — | |
| SCHEMBL12136871 | 0.81 | CNR1 (0.41) | — | |
| SCHEMBL3554211 | 0.80 | KMT2A (0.42) | — | |
| SCHEMBL8259098 | 0.80 | CNR1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4837442 | 0.79 | KDM4E (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021093817-A1 | IMMUNOMODULATORY COMPOUNDS, COMPOSITION AND APPLICATION THEREOF | 杭州和正医药有限公司 | 2021-05-20 | — | — | WO | disclosed |
| WO-2009070485-A1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-04 | — | — | WO | disclosed |