⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22297362 | 0.76 | — | — | |
| SCHEMBL20006434 | 0.75 | — | — | |
| SCHEMBL20992325 | 0.75 | — | — | |
| SCHEMBL24654384 | 0.71 | — | — | |
| SCHEMBL22520932 | 0.71 | — | — | |
| SCHEMBL19261205 | 0.70 | — | — | |
| SCHEMBL19664842 | 0.70 | — | — | |
| SCHEMBL12658304 | 0.69 | — | — | |
| SCHEMBL8554201 | 0.67 | — | — | |
| SCHEMBL19227410 | 0.67 | — | — |
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-2022268179-A1 | BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES | INSILICO MEDICINE IP LIMITED (CN) | 2022-12-29 | — | — | WO | disclosed |
| EP-3553053-A1 | (S)-ENANTIOMERIC FORM OF A HETEROCYCLIC COMPOUND HAVING MOTIVATION IMPROVING AND/OR REFERENCE MEMORY ENHANCING ACTIVITY | Red Bull GmbH (AT) | 2019-10-16 | — | — | EP | disclosed |