⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL813889 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5179224 | 0.72 | — | — | |
| SCHEMBL30039896 | 0.72 | — | — | |
| SCHEMBL7050544 | 0.72 | — | — | |
| SCHEMBL8104299 | 0.72 | CYP2D6 (0.30) | — | |
| Bromide SCHEMBL7527133 | 0.72 | — | — | |
| SCHEMBL4651915 | 0.72 | — | — | |
| SCHEMBL7050541 | 0.72 | — | — | |
| Fluoride Ion SCHEMBL7532529 | 0.72 | — | — | |
| SCHEMBL22584 | 0.72 | — | — |
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-113412264-B | Organometallic chain transfer agent | 陶氏环球技术有限责任公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-109952324-B | Blocked multi-or double-headed compositions suitable for chain shuttling and methods of making the same | 陶氏环球技术有限责任公司 | 2023-06-09 | — | — | CN | disclosed |