⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9773073 | 0.97 | — | — | |
| SCHEMBL10619699 | 0.78 | SLC22A2 (0.40) | — | |
| SCHEMBL6136744 | 0.74 | — | — | |
| SCHEMBL1695333 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6674511 | 0.72 | — | — | |
| SCHEMBL7052944 | 0.68 | HDAC8 (0.33) | — | |
| SCHEMBL8827254 | 0.68 | — | — | |
| SCHEMBL18035806 | 0.68 | — | — | |
| SCHEMBL11229951 | 0.68 | — | — | |
| SCHEMBL30565830 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3384518-A1 | ISOMERIC REAGENT TAGS FOR DIFFERENTIAL MOBILITY SPECTROMETRY | DH Technologies Development PTE. Ltd. (SG) | 2018-10-10 | — | — | EP | disclosed |
| WO-2017093898-A1 | ISOMERIC REAGENT TAGS FOR DIFFERENTIAL MOBILITY SPECTROMETRY | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2017-06-08 | — | — | WO | disclosed |
| US-4781985-A | FLUOROSURFACTANT | JAMES RIVER GRAPHICS, INC. (US) | 1988-11-01 | — | — | US | disclosed |