⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3240865 | 0.72 | — | — | |
| SCHEMBL15416702 | 0.64 | — | — | |
| SCHEMBL6695626 | 0.57 | TSHR (0.33) | — | |
| SCHEMBL21460 | 0.56 | — | — | |
| SCHEMBL4527588 | 0.56 | — | — | |
| SCHEMBL8520068 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL9419899 | 0.53 | — | — | |
| SCHEMBL277738 | 0.50 | — | — | |
| SCHEMBL19376415 | 0.50 | TSHR (0.33) | — | |
| SCHEMBL1328 | 0.49 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5464732-A | Non-fogging | KONICA CORPORATION (JP) | 1995-11-07 | — | — | US | claimed |
| US-20100222549-A1 | DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES | NIH-DEITR | 2010-09-02 | — | — | US | disclosed |
| EP-2139859-A1 | DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES | The Board Of Trustees Of The University Of Illinois (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008134058-A1 | DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2008-11-06 | — | — | WO | disclosed |
| US-5464732-A | Non-fogging | KONICA CORPORATION (JP) | 1995-11-07 | — | — | US | disclosed |