⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17006282 | 0.78 | — | — | |
| SCHEMBL28611388 | 0.68 | — | — | |
| SCHEMBL2043582 | 0.64 | — | — | |
| SCHEMBL2356803 | 0.64 | — | — | |
| SCHEMBL28493303 | 0.60 | — | — | |
| SCHEMBL29213716 | 0.59 | — | — | |
| SCHEMBL28608010 | 0.59 | — | — | |
| SCHEMBL11698152 | 0.58 | — | — | |
| SCHEMBL30719664 | 0.58 | — | — | |
| SCHEMBL910100 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6451937-B1 | BY THERMALLY REACTING A FUNCTIONALIZING REAGENT AND THE HYDROCARBON IN THE PRESENCE OF A TRANSITION METAL COORDINATION CATALYST | SHELL OIL COMPANY | 2002-09-17 | — | — | US | claimed |
| US-20010039349-A1 | Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds | SHELL OIL COMPANY | 2001-11-08 | — | — | US | claimed |
| EP-3583211-B1 | METHOD FOR THE SYNTHESIS OF DNA CONJUGATES BY MICELLAR CATALYSIS | UNIV DORTMUND TECH (DE) | 2024-04-10 | — | — | EP | disclosed |
| CN-110300804-B | Method for synthesizing DNA conjugate by micelle catalysis | 多特蒙德工业大学 | 2024-02-02 | — | — | CN | disclosed |
| US-20220002712-A1 | METHOD FOR THE SYNTHESIS OF DNA CONJUGATES BY MICELLAR CATALYSIS | TECHNISCHE UNIVERSITÄT DORTMUND (DE) | 2022-01-06 | — | — | US | disclosed |
| WO-2018149863-A1 | METHOD FOR THE SYNTHESIS OF DNA CONJUGATES BY MICELLAR CATALYSIS | TECHNISCHE UNIVERSITÄT DORTMUND (DE) | 2018-08-23 | — | — | WO | disclosed |