⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11844886 | 1.00 | — | — | |
| SCHEMBL11838651 | 0.86 | SIGMAR1 (0.45) | — | |
| SCHEMBL11838660 | 0.86 | SIGMAR1 (0.45) | — | |
| SCHEMBL11839663 | 0.83 | GRIN2D (0.33) | — | |
| SCHEMBL11839668 | 0.83 | GRIN2D (0.33) | — | |
| SCHEMBL11837359 | 0.79 | — | — | |
| SCHEMBL11837352 | 0.79 | — | — | |
| SCHEMBL19063013 | 0.77 | — | — | |
| SCHEMBL14373125 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL11839609 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3994875-A | CEPHALOSPORINS, PENICILLINS | YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) | 1976-11-30 | — | — | US | disclosed |
| US-3948904-A | ANTIBIOTICS | YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) | 1976-04-06 | — | — | US | disclosed |