⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7268351 | 0.83 | — | — | |
| SCHEMBL4534100 | 0.83 | — | — | |
| SCHEMBL7791015 | 0.78 | — | — | |
| SCHEMBL11523007 | 0.73 | — | — | |
| SCHEMBL22756041 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL2711983 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL17679200 | 0.69 | — | — | |
| SCHEMBL17679201 | 0.67 | LMNA (0.39) | — | |
| SCHEMBL27460417 | 0.67 | OPRM1 (0.44) | — | |
| Dichloropropane SCHEMBL11029722 | 0.67 | TSHR (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11773194-B2 | Vinyl chloride-based polymer and method for preparing same | LG CHEM, LTD. (KR) | 2023-10-03 | — | — | US | disclosed |
| US-20030163000-A1 | Halogen exchange reactions and catalysts therefor | CHORDIP LTD. (GB) | 2003-08-28 | — | — | US | disclosed |
| EP-1288196-A1 | Process for the preparation of organo guanidinium salts | Chordip Ltd. (GB) | 2003-03-05 | — | — | EP | disclosed |