⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9921595 | 0.77 | — | — | |
| SCHEMBL11720509 | 0.72 | — | — | |
| SCHEMBL6050498 | 0.69 | — | — | |
| SCHEMBL5376291 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL251470 | 0.65 | — | — | |
| SCHEMBL11049355 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL8795601 | 0.63 | — | — | |
| SCHEMBL1557587 | 0.61 | — | — | |
| SCHEMBL10793901 | 0.61 | — | — | |
| SCHEMBL264006 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007091998-A2 | METHOD AND APPARATUS FOR PRE-CONCENTRATION OF VOLATILE COMPOUNDS OF EXPLOSIVES AND TAGGANTS IN EXPLOSIVES FOR SUBSEQUENT DETECTION BY ION MOBILITY SPECTROMETRY | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) | 2007-08-16 | — | — | WO | disclosed |