⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7741893 | 0.74 | — | — | |
| SCHEMBL27753421 | 0.70 | SLC22A6 (0.43) | — | |
| SCHEMBL276400 | 0.69 | — | — | |
| SCHEMBL6925402 | 0.69 | — | — | |
| SCHEMBL5077882 | 0.67 | SLC22A6 (0.45) | — | |
| SCHEMBL804682 | 0.67 | CACNA2D1 (0.46) | — | |
| SCHEMBL12256006 | 0.67 | — | — | |
| SCHEMBL11761433 | 0.67 | CACNA2D1 (0.46) | — | |
| SCHEMBL678102 | 0.67 | SLC22A6 (0.45) | — | |
| SCHEMBL27936231 | 0.67 | CACNA2D1 (0.46) | — |
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-20110059898-A1 | PRO-OXIDANT ANTI-CANCER COMPOUNDS | CANCURE LIMITED (AU) | 2011-03-10 | — | — | US | claimed |
| CN-1334490-A | Negative image recording material and image forming method | FUJI PHOTO FILM CO LTD (JP) | 2002-02-06 | — | — | CN | disclosed |
| CN-1039596-A | Preparation method in conjunction with the peptide of retroviral Protease | SMITHKLINE BECKMAN CORP (US) | 1990-02-14 | — | — | CN | disclosed |