⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8666275 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL25238564 | 0.78 | LMNA (0.36) | — | |
| SCHEMBL10711996 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL10712198 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL6664827 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL10712083 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL10708125 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL9789331 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL8541034 | 0.76 | — | — | |
| SCHEMBL30120014 | 0.76 | TSHR (0.37) | — |
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-0672686-B1 | GANGLIOSIDE GM3 DERIVATIVE HAVING FLUORINATED CERAMIDE MOIETY | DAIKIN IND LTD (JP) | 1998-12-16 | — | — | EP | disclosed |
| US-5583208-A | Ganglioside GM3 derivatives containing fluorine in ceramide portion | DAIKIN INDUSTRIES, LTD. (JP) | 1996-12-10 | — | — | US | disclosed |
| EP-0672686-A1 | GANGLIOSIDE GM3 DERIVATIVE HAVING FLUORINATED CERAMIDE MOIETY | DAIKIN INDUSTRIES, LIMITED (JP) | 1995-09-20 | — | — | EP | disclosed |