⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6717 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27908041 | 0.90 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL28091684 | 0.90 | — | — | |
| Hydroxyl Radical SCHEMBL28122311 | 0.90 | — | — | |
| Ethane SCHEMBL27432763 | 0.90 | — | — | |
| Water SCHEMBL28078323 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL371482 | 0.90 | — | — | |
| SCHEMBL28061100 | 0.90 | — | — | |
| SCHEMBL28788672 | 0.90 | — | — | |
| Methylamine SCHEMBL28125458 | 0.86 | — | — |
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-105850985-A | Porcine frozen semen diluting powder | 山东鑫基牧业有限公司 | 2016-08-17 | — | — | CN | disclosed |