⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8217158 | 0.74 | — | — | |
| SCHEMBL2192619 | 0.67 | — | — | |
| SCHEMBL6894702 | 0.67 | — | — | |
| SCHEMBL18421431 | 0.65 | CA2 (0.33) | — | |
| SCHEMBL2193642 | 0.65 | THRB (0.34) | — | |
| SCHEMBL9849222 | 0.64 | CES1 (0.41) | — | |
| SCHEMBL25513619 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL25513622 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL7154299 | 0.62 | TAAR1 (0.31) | — | |
| SCHEMBL7643011 | 0.61 | LMNA (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0907625-A4 | FLUOROUS REACTION AND SEPARATION SYSTEMS | UNIV PITTSBURGH (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-0907625-A1 | FLUOROUS REACTION AND SEPARATION SYSTEMS | UNIVERSITY OF PITTSBURGH (US) | 1999-04-14 | — | — | EP | disclosed |
| WO-1998000376-A1 | FLUOROUS REACTION AND SEPARATION SYSTEMS | UNIVERSITY OF PITTSBURGH (US) | 1998-01-08 | — | — | WO | disclosed |