⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8402496 | 0.88 | — | — | |
| SCHEMBL6907900 | 0.79 | — | — | |
| SCHEMBL16510278 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL2462839 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL11382539 | 0.73 | — | — | |
| SCHEMBL3807307 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL7795606 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL526487 | 0.71 | — | — | |
| SCHEMBL14128804 | 0.69 | — | — | |
| SCHEMBL9816 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130089884-A1 | Protein Modification from the Oxidation of Clickable Polyunsaturated Fatty Acid Analogs | Life Technologies Corporation (US) | 2013-04-11 | — | — | US | disclosed |
| EP-0625054-A4 | STABILIZED RADIOPHARMACEUTICAL KITS. | MALLINCKRODT MEDICAL INC (US) | 1996-04-17 | — | — | EP | disclosed |
| EP-0625054-A1 | STABILIZED RADIOPHARMACEUTICAL KITS | MALLINCKRODT MEDICAL, INC. (US) | 1994-11-23 | — | — | EP | disclosed |
| WO-1993015765-A1 | STABILIZED RADIOPHARMACEUTICAL KITS | MALLINCKRODT MEDICAL, INC. (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5112595-A | Diaminoalkyldifuranones and phosphine ligands with technetium for imaging | MALLINCKRODT MEDICAL, INC. (US) | 1992-05-12 | — | — | US | disclosed |