⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL173185 | 0.86 | RAF1 (0.34) | — | |
| SCHEMBL12447257 | 0.86 | NR1I2 (0.33) | — | |
| SCHEMBL173109 | 0.80 | NR1I2 (0.44) | — | |
| SCHEMBL14136174 | 0.80 | TACR2 (0.30) | — | |
| SCHEMBL12447255 | 0.77 | RAF1 (0.36) | — | |
| SCHEMBL13758912 | 0.76 | — | — | |
| SCHEMBL173183 | 0.72 | NR1I2 (0.36) | — | |
| SCHEMBL14549455 | 0.70 | — | — | |
| SCHEMBL2625045 | 0.69 | — | — | |
| SCHEMBL134310 | 0.69 | NR1I2 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8269014-B2 | Thiophene analogues for the treatment or prevention of flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-09-18 | — | — | US | disclosed |
| US-20120059170-A1 | THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals ( Canada) Incorporated (CA) | 2012-03-08 | — | — | US | disclosed |