⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9104 | 0.86 | KDM4E (0.46) | — | |
| SCHEMBL2605560 | 0.81 | MGAM (0.38) | — | |
| SCHEMBL11078575 | 0.79 | — | — | |
| SCHEMBL15674861 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL6730874 | 0.77 | — | — | |
| SCHEMBL721438 | 0.77 | — | — | |
| SCHEMBL15987254 | 0.77 | CES2 (0.40) | — | |
| SCHEMBL13241894 | 0.77 | — | — | |
| SCHEMBL150035 | 0.77 | THRB (0.48) | — | |
| SCHEMBL2606660 | 0.75 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218369-A4 | INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2005-06-22 | — | — | EP | disclosed |
| US-6747023-B1 | INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-06-08 | — | — | US | disclosed |
| US-20040082611-A1 | Anticoagulants; brain disorders; respiratory system disorders; side effect reduction | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-04-29 | — | — | US | disclosed |
| EP-1218369-A1 | INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-07-03 | — | — | EP | disclosed |
| EP-1104754-A1 | NOVEL SULFONYL DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-06-06 | — | — | EP | disclosed |
| WO-2001012621-A1 | INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-02-22 | — | — | WO | disclosed |
| EP-0853688-A1 | ELECTROLYTIC PLATE STACK CELL | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997010370-A1 | ELECTROLYTIC PLATE STACK CELL | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-20 | — | — | WO | disclosed |