⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12244538 | 1.00 | — | — | |
| SCHEMBL669829 | 0.97 | MAPT (0.42) | — | |
| SCHEMBL12529886 | 0.94 | — | — | |
| SCHEMBL11500196 | 0.88 | MAPT (0.42) | — | |
| Piperidine SCHEMBL9404500 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL2551415 | 0.76 | IDO1 (0.43) | — | |
| SCHEMBL10537680 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL10451647 | 0.76 | MEN1 (0.37) | — | |
| SCHEMBL6289109 | 0.76 | USP2 (0.44) | — | |
| SCHEMBL12511097 | 0.76 | FDPS (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010029313-A1 | ANTIINFECTIVE COMPOUNDS | SUMMIT CORPORATION PLC. (GB) | 2010-03-18 | — | — | WO | disclosed |
| WO-2010015815-A2 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | SUMMIT CORPORATION PLC (GB) | 2010-02-11 | — | — | WO | disclosed |