⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL348390 | 0.62 | NOS3 (0.33) | — | |
| SCHEMBL11891519 | 0.53 | — | — | |
| SCHEMBL9999338 | 0.47 | — | — | |
| SCHEMBL7086988 | 0.45 | — | — | |
| Durohydroquinone SCHEMBL69786 | 0.42 | ALOX5 (0.38) | — | |
| Ligustrazine SCHEMBL583011 | 0.42 | KDM4E (0.39) | — | |
| Trimethylammonium SCHEMBL11565627 | 0.38 | — | — | |
| Cyclohexane SCHEMBL10923456 | 0.38 | — | — | |
| SCHEMBL12113 | 0.38 | — | — | |
| Methyl Alcohol SCHEMBL11649435 | 0.38 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101842375-A | Process for preparing TEDA derivatives | BASF SE | 2010-09-22 | — | — | CN | disclosed |
| US-20100204438-A1 | METHOD FOR PRODUCING TEDA DERIVATIVES | BASF SE (DE) | 2010-08-12 | — | — | US | disclosed |
| EP-2197882-A2 | METHOD FOR PRODUCING TEDA DERIVATIVES | Basf Se (DE) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009030649-A2 | METHOD FOR PRODUCING TEDA DERIVATIVES | BASF SE (DE) | 2009-03-12 | — | — | WO | disclosed |