⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11521157 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL11521162 | 0.73 | RAB9A (0.42) | — | |
| SCHEMBL10402401 | 0.72 | MTNR1A (0.33) | — | |
| SCHEMBL10405093 | 0.71 | HSD17B10 (0.32) | — | |
| SCHEMBL6051450 | 0.69 | — | — | |
| SCHEMBL6051456 | 0.69 | — | — | |
| SCHEMBL4311579 | 0.67 | CYP2C9 (0.33) | — | |
| SCHEMBL10403520 | 0.67 | — | — | |
| SCHEMBL14220785 | 0.66 | — | — | |
| SCHEMBL9619930 | 0.64 | — | — |
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-4914206-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-03 | — | — | US | disclosed |