⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27761007 | 0.79 | PTPN1 (0.31) | — | |
| SCHEMBL30179889 | 0.74 | HTR6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL30441536 | 0.69 | HTR6 (0.33) | — | |
| SCHEMBL3369986 | 0.66 | PTPN1 (0.30) | — | |
| SCHEMBL7096420 | 0.66 | HTR6 (0.30) | — | |
| Hydrochloric Acid SCHEMBL22116215 | 0.66 | HTR6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL22116258 | 0.66 | HTR6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL22116218 | 0.66 | HTR6 (0.33) | — | |
| SCHEMBL17386884 | 0.65 | HTR2A (0.34) | — | |
| SCHEMBL8157271 | 0.65 | HTR2A (0.34) | — |
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-113412264-A | Organometallic chain transfer agents | 陶氏环球技术有限责任公司 | 2021-09-17 | — | — | CN | disclosed |