⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL341861 | 0.76 | CYP1A2 (0.41) | — | |
| SCHEMBL8661559 | 0.70 | HPRT1 (0.36) | — | |
| SCHEMBL30627931 | 0.70 | — | — | |
| SCHEMBL302728 | 0.70 | — | — | |
| SCHEMBL30676994 | 0.70 | — | — | |
| Charcoal, Activated SCHEMBL10705847 | 0.68 | — | — | |
| SCHEMBL1395078 | 0.68 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL7039943 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7039938 | 0.67 | — | — | |
| SCHEMBL1262143 | 0.63 | CA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376655-B1 | APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY | RISO NATIONAL LABORATORY (DK) | 2002-04-23 | — | — | US | disclosed |
| EP-0828709-A1 | NOVEL PHYSICALLY FUNCTIONAL MATERIALS | FORSKNINGSCENTER RISO (DK) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996038410-A1 | NOVEL PHYSICALLY FUNCTIONAL MATERIALS | Forskningscenter Risø (DK) | 1996-12-05 | — | — | WO | disclosed |