⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL481596 | 0.90 | — | — | |
| SCHEMBL8122799 | 0.83 | — | — | |
| SCHEMBL3693133 | 0.78 | CYP11B2 (0.31) | — | |
| SCHEMBL218979 | 0.78 | CYP11B2 (0.31) | — | |
| SCHEMBL235157 | 0.76 | MAOA (0.30) | — | |
| SCHEMBL428029 | 0.74 | — | — | |
| SCHEMBL2971884 | 0.71 | — | — | |
| SCHEMBL4537045 | 0.69 | — | — | |
| SCHEMBL217251 | 0.66 | — | — | |
| SCHEMBL7783727 | 0.61 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2629801-A2 | SYNERGISTIC EFFECTS BETWEEN AURISTATIN-BASED ANTIBODY DRUG CONJUGATES AND INHIBITORS OF THE PI3K-AKT MTOR PATHWAY | Seattle Genetics, Inc. (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2533804-A1 | ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 161P2F10B PROTEINS | Agensys, Inc. (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2012054748-A2 | SYNERGISTIC EFFECTS BETWEEN AURISTATIN-BASED ANTIBODY DRUG CONJUGATES AND INHIBITORS OF THE PI3K-AKT MTOR PATHWAY | SEATTLE GENETICS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2011097627-A1 | ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 161P2F10B PROTEINS | AGENSYS, INC. (US) | 2011-08-11 | — | — | WO | disclosed |