⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL538844 | 0.83 | — | — | |
| Trichloroethane SCHEMBL11686802 | 0.78 | — | — | |
| SCHEMBL136756 | 0.78 | — | — | |
| SCHEMBL11836932 | 0.77 | — | — | |
| Dalapon SCHEMBL7218827 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL11269473 | 0.77 | — | — | |
| SCHEMBL10945349 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL11643719 | 0.75 | — | — | |
| Dalapon SCHEMBL45164 | 0.75 | — | — | |
| SCHEMBL3164284 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61167636-A | — | — | None | — | — | JP | disclosed |
| JP-61148137-A | — | — | None | — | — | JP | disclosed |
| US-5834490-A | Cyclopropyl derivatives, preparation method there-of and applications | INSTITUTO DE INVESTIGACION Y DESARROLO QUIMICO BIOLOGICO, S.A. (ES) | 1998-11-10 | — | — | US | disclosed |
| WO-1995018139-A1 | SYNTHESIS OF PROPARGYL MODIFIED NUCLEOSIDES AND PHOSPHORAMIDITES AND THEIR INCORPORATION INTO DEFINED SEQUENCE OLIGONUCLEOTIDES | CHEMGENES CORPORATION (US) | 1995-07-06 | — | — | WO | disclosed |
| JP-S61167636-A | PRODUCTION OF VICINAL DIKETONE COMPOUND | NIPPON ZEON CO LTD | 1986-07-29 | — | — | JP | disclosed |
| JP-S61148137-A | PRODUCTION OF DIHALOALKANONE | NIPPON ZEON CO LTD | 1986-07-05 | — | — | JP | disclosed |
| US-4587235-A | Novel androstane derivatives, process for their production, and pharmaceutical preparations containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-05-06 | — | — | US | disclosed |