⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13050542 | 0.80 | — | — | |
| SCHEMBL12747502 | 0.80 | — | — | |
| SCHEMBL12311710 | 0.80 | — | — | |
| SCHEMBL14981778 | 0.80 | — | — | |
| SCHEMBL10060282 | 0.80 | — | — | |
| SCHEMBL12771400 | 0.80 | PIK3CD (0.34) | — | |
| SCHEMBL12771398 | 0.80 | PIK3CD (0.34) | — | |
| SCHEMBL23872799 | 0.76 | — | — | |
| SCHEMBL14615898 | 0.76 | F2 (0.31) | — | |
| SCHEMBL16656693 | 0.76 | F2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8168798-B2 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110137037-A1 | CASPASE INHIBITOR PRODRUGS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | US | disclosed |
| US-7879891-B2 | such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | disclosed |
| US-20070155718-A1 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED | 2007-07-05 | — | — | US | disclosed |