⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1680436 | 0.71 | — | — | |
| SCHEMBL5169710 | 0.71 | — | — | |
| SCHEMBL9317405 | 0.69 | — | — | |
| SCHEMBL8672344 | 0.65 | TSHR (0.53) | — | |
| SCHEMBL4664492 | 0.65 | — | — | |
| SCHEMBL55033 | 0.65 | TSHR (0.53) | — | |
| SCHEMBL216495 | 0.65 | — | — | |
| SCHEMBL2881813 | 0.65 | — | — | |
| Pentane SCHEMBL5948696 | 0.63 | — | — | |
| Hexane SCHEMBL4283926 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020065267-A1 | Compounds, their preparation and use | JEPPESEN LONE (DK) | 2002-05-30 | — | — | US | disclosed |
| US-20020061876-A1 | Compounds, their preparation and use | JEPPESEN LONE (DK) | 2002-05-23 | — | — | US | disclosed |
| WO-1996005179-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-22 | — | — | WO | disclosed |