⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16674618 | 1.00 | — | — | |
| SCHEMBL2771257 | 1.00 | — | — | |
| SCHEMBL5656384 | 0.85 | KMT2A (0.50) | — | |
| SCHEMBL21368661 | 0.78 | — | — | |
| SCHEMBL27613076 | 0.78 | — | — | |
| SCHEMBL7760395 | 0.77 | — | — | |
| SCHEMBL7760400 | 0.77 | — | — | |
| SCHEMBL15417804 | 0.77 | — | — | |
| SCHEMBL11181265 | 0.75 | — | — | |
| SCHEMBL2002592 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112679363-A | Method for preparing pentazocine intermediate | 和鼎（南京）医药技术有限公司 | 2021-04-20 | — | — | CN | disclosed |
| EP-2739632-B1 | eta5:eta1-CYCLOPENTADIENYLIDENE-PHOSPHORANE CONSTRAINED GEOMETRY COMPLEXES OF RARE EARTH METALS | Rockwood Lithium GmbH (DE) | 2017-06-21 | — | — | EP | disclosed |
| EP-1967509-B1 | METHOD FOR PRODUCING PRIMARY AMINE COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2010-04-14 | — | — | EP | disclosed |
| US-7652170-B2 | Method for producing primary amine compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-01-26 | — | — | US | disclosed |
| US-20090287023-A1 | METHOD FOR PRODUCING PRIMARY AMINE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-11-19 | — | — | US | disclosed |
| EP-1967509-A1 | METHOD FOR PRODUCING PRIMARY AMINE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2008-09-10 | — | — | EP | disclosed |