⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4858239 | 0.89 | — | — | |
| SCHEMBL263682 | 0.89 | — | — | |
| SCHEMBL6416554 | 0.80 | — | — | |
| SCHEMBL28634315 | 0.80 | — | — | |
| SCHEMBL27991735 | 0.80 | — | — | |
| SCHEMBL27631002 | 0.80 | — | — | |
| SCHEMBL27991681 | 0.80 | — | — | |
| SCHEMBL28239989 | 0.80 | — | — | |
| SCHEMBL29367621 | 0.78 | — | — | |
| SCHEMBL15338 | 0.78 | — | — |
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-101193843-B | Production process of nucleus-halogenated methylbenzyl alcohol | SHOWA DENKO KK | 2011-05-04 | — | — | CN | disclosed |
| CN-101193843-A | Production process of nucleus-halogenated methylbenzyl alcohol | SHOWA DENKO KK (JP) | 2008-06-04 | — | — | CN | disclosed |
| US-7198764-B2 | Gas treatment system and a method for using the same | DELPHI TECHNOLOGIES, INC. (US) | 2007-04-03 | — | — | US | disclosed |
| US-20040173450-A1 | Gas treatment system and a method for using the same | DELPHI TECHNOLOGIES, INC. | 2004-09-09 | — | — | US | disclosed |