⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9230467 | 0.75 | THRB (0.42) | — | |
| SCHEMBL1487867 | 0.75 | — | — | |
| SCHEMBL11851476 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL27750865 | 0.70 | — | — | |
| SCHEMBL4434932 | 0.70 | — | — | |
| Methylamine SCHEMBL770382 | 0.70 | THRB (0.38) | — | |
| SCHEMBL14016005 | 0.70 | — | — | |
| SCHEMBL29148294 | 0.70 | — | — | |
| SCHEMBL19695734 | 0.70 | — | — | |
| SCHEMBL11291745 | 0.67 | THRB (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0609591-B1 | Markers for petroleum, method of tagging, and method of detection | MORTON INT INC (US) | 1997-07-23 | — | — | EP | disclosed |
| EP-0609591-A1 | Markers for petroleum, method of tagging, and method of detection | MORTON INTERNATIONAL, INC. (US) | 1994-08-10 | — | — | EP | disclosed |
| US-5205840-A | Markers for petroleum, method of tagging, and method of detection | MORTON INTERNATIONAL, INC. (US) | 1993-04-27 | — | — | US | disclosed |
| US-4550178-A | BLUE DYEING | CIBA GEIGY CORPORATION (US) | 1985-10-29 | — | — | US | disclosed |