⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25317454 | 0.72 | SLC18A3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6471582 | 0.69 | — | — | |
| SCHEMBL8085554 | 0.69 | MAOB (0.41) | — | |
| Hydrochloric Acid SCHEMBL7738053 | 0.69 | — | — | |
| SCHEMBL12815045 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL12815513 | 0.69 | CHRNB4 (0.35) | — | |
| SCHEMBL10320042 | 0.69 | — | — | |
| SCHEMBL12818013 | 0.69 | SLC6A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL7782730 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6471527 | 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 |
|---|---|---|---|---|---|---|---|
| CN-113402641-B | Metallocene catalyst, preparation method and application | 北京化工大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-113402641-A | Metallocene catalyst, preparation method and application | 北京化工大学 | 2021-09-17 | — | — | CN | disclosed |