⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17496498 | 0.80 | — | — | |
| SCHEMBL30425975 | 0.79 | — | — | |
| SCHEMBL83772 | 0.69 | — | — | |
| SCHEMBL1807455 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL27188439 | 0.67 | — | — | |
| SCHEMBL30823002 | 0.65 | — | — | |
| SCHEMBL12670443 | 0.64 | — | — | |
| SCHEMBL13101758 | 0.64 | — | — | |
| SCHEMBL487343 | 0.64 | — | — | |
| SCHEMBL31586669 | 0.63 | — | — |
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-8372885-B2 | Organic compounds and their uses | NOVARTIS AG (CH) | 2013-02-12 | — | — | US | disclosed |
| US-20120270934-A1 | PROSTACYCLIN DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2012-10-25 | — | — | US | disclosed |
| US-20100256240-A1 | PROSTACYCLIN DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2010-10-07 | — | — | US | disclosed |
| US-20100184862-A1 | PROSTACYCLIN DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2010-07-22 | — | — | US | disclosed |
| US-20100120872-A1 | ORGANIC COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2010-05-13 | — | — | US | disclosed |
| US-20090325976-A1 | PROSTACYCLIN DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2009-12-31 | — | — | US | disclosed |