⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1492004 | 0.67 | THRB (0.33) | — | |
| SCHEMBL515193 | 0.67 | — | — | |
| SCHEMBL7940945 | 0.67 | — | — | |
| SCHEMBL515192 | 0.67 | — | — | |
| SCHEMBL11294895 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL4829929 | 0.67 | — | — | |
| SCHEMBL1147760 | 0.64 | — | — | |
| SCHEMBL7722051 | 0.64 | — | — | |
| SCHEMBL14306860 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL4917394 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012098240-A1 | OPTICAL SENSOR | CITY UNIVERSITY (GB) | 2012-07-26 | — | — | WO | disclosed |
| EP-1051461-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR, William C. (US) | 2000-11-15 | — | — | EP | disclosed |
| EP-0989981-A1 | NOVEL PHENYL-SUBSTITUTED TRICYCLIC INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | SCHERING CORPORATION (US) | 2000-04-05 | — | — | EP | disclosed |
| WO-1999066009-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR WILLIAM C (US) | 1999-12-23 | — | — | WO | disclosed |
| WO-1998057950-A1 | NOVEL PHENYL-SUBSTITUTED TRICYCLIC INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | SCHERING CORPORATION (US) | 1998-12-23 | — | — | WO | disclosed |