⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6072984 | 0.74 | MEN1 (0.37) | — | |
| SCHEMBL4619452 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL175905 | 0.62 | — | — | |
| SCHEMBL6158976 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL5140347 | 0.59 | — | — | |
| SCHEMBL3261534 | 0.59 | CRHR1 (0.36) | — | |
| SCHEMBL8177565 | 0.59 | MAPT (0.41) | — | |
| SCHEMBL5807783 | 0.58 | ALDH1A1 (0.38) | — | |
| Water SCHEMBL8664079 | 0.57 | — | — | |
| SCHEMBL2163151 | 0.57 | ALDH1A1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180282347-A1 | BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-10-04 | — | — | US | disclosed |
| US-20170265474-A1 | BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-09-21 | — | — | US | disclosed |
| US-5720935-A | CONTACTING IN AQUEOUS SOLUTION A RADIOACTIVE CHLORINE, BROMINE, IODINE OR ASTATINE ION, STANNYLATED PYRIMIDINE NUCLEOSIDE OR NUCLOTIDE, AN ACIDIC HYDROGEN PEROXIDE OXIDIZER, RADIOLABELLING BY DESTANYLATION | PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) | 1998-02-24 | — | — | US | disclosed |
| WO-1996041648-A1 | RAPID SYNTHESIS OF RADIOLABELED PYRIMIDINE NUCLEOSIDES OR NUCLEOTIDES FROM STANNYL PRECURSORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1996-12-27 | — | — | WO | disclosed |