⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10060262 | 0.92 | ACE (0.30) | — | |
| SCHEMBL10060278 | 0.87 | — | — | |
| SCHEMBL11952911 | 0.85 | — | — | |
| SCHEMBL10060270 | 0.85 | DPP4 (0.34) | — | |
| SCHEMBL10079281 | 0.85 | DPP4 (0.34) | — | |
| SCHEMBL12771398 | 0.83 | PIK3CD (0.34) | — | |
| SCHEMBL12771400 | 0.83 | PIK3CD (0.34) | — | |
| SCHEMBL4737496 | 0.80 | — | — | |
| SCHEMBL11964596 | 0.77 | PIK3CD (0.31) | — | |
| SCHEMBL10079280 | 0.74 | ACE (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8648094-B2 | IAP BIR domain binding compounds | PHARMASCIENCE, INC. (CA) | 2014-02-11 | — | — | US | disclosed |
| US-20120195915-A1 | IAP BIR domain binding compounds | PHARMASCIENCE INC. (CA) | 2012-08-02 | — | — | US | disclosed |
| US-8163792-B2 | IAP BIR domain binding compounds | PHARMASCIENCE INC. (CA) | 2012-04-24 | — | — | US | disclosed |
| US-8163792-B2 | IAP BIR domain binding compounds | PHARMASCIENCE INC. (CA) | 2012-04-24 | — | — | US | disclosed |
| US-20090192140-A1 | IAP BIR DOMAIN BINDING COMPOUNDS | AEGERA THERAPEUTICS INC. (CA) | 2009-07-30 | — | — | US | disclosed |
| US-20090192140-A1 | IAP BIR DOMAIN BINDING COMPOUNDS | AEGERA THERAPEUTICS INC. (CA) | 2009-07-30 | — | — | US | disclosed |