⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL787463 | 1.00 | — | — | |
| SCHEMBL1052938 | 0.92 | — | — | |
| SCHEMBL29518441 | 0.92 | — | — | |
| SCHEMBL1052936 | 0.92 | — | — | |
| SCHEMBL1049799 | 0.89 | MAPT (0.30) | — | |
| SCHEMBL481597 | 0.89 | MAPT (0.30) | — | |
| SCHEMBL1052042 | 0.88 | KDM1A (0.31) | — | |
| SCHEMBL1052040 | 0.88 | KDM1A (0.31) | — | |
| SCHEMBL7637190 | 0.88 | — | — | |
| SCHEMBL7637193 | 0.88 | — | — |
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 |