⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27455254 | 0.77 | — | — | |
| SCHEMBL3853123 | 0.76 | — | — | |
| SCHEMBL3947581 | 0.74 | — | — | |
| SCHEMBL2883569 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27476064 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL27772815 | 0.72 | HTR6 (0.35) | — | |
| SCHEMBL28752326 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL18967771 | 0.71 | CXCR4 (0.32) | — | |
| SCHEMBL10504112 | 0.71 | — | — | |
| SCHEMBL28002186 | 0.71 | TDP1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101052651-B | Caspase-2 inhibitors and their biological applications | THERAPTOSIS S A | 2011-05-25 | — | — | CN | disclosed |
| CN-101052651-A | Caspase-2 inhibitors and their biological applications | THERAPTOSIS S A (FR) | 2007-10-10 | — | — | CN | disclosed |