⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13310418 | 0.86 | EPHX1 (0.55) | — | |
| SCHEMBL16486494 | 0.85 | EPHX1 (0.59) | — | |
| SCHEMBL3190326 | 0.84 | EPHX1 (0.61) | — | |
| SCHEMBL23703828 | 0.83 | EPHX1 (0.62) | — | |
| SCHEMBL16486265 | 0.80 | ACHE (0.44) | — | |
| SCHEMBL13258963 | 0.79 | — | — | |
| SCHEMBL6538861 | 0.79 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL8004 | 0.79 | TDP1 (0.55) | — | |
| SCHEMBL7351535 | 0.77 | ACHE (0.55) | — | |
| SCHEMBL10243672 | 0.76 | EPHX1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140221282-A1 | LONG DURATION DUAL HORMONE CONJUGATES | ASTRAZENECA PHARMACEUTICALS LP | 2014-08-07 | — | — | US | disclosed |
| CN-102822175-A | 5, 5-fused arylene or heteroarylene hepatitis C virus inhibitors | IDENIX PHARMACEUTICALS INC (US) | 2012-12-12 | — | — | CN | disclosed |
| CN-101258147-A | 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2008-09-03 | — | — | CN | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |