⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29212862 | 0.97 | — | — | |
| SCHEMBL13318805 | 0.78 | — | — | |
| SCHEMBL1405613 | 0.76 | — | — | |
| SCHEMBL1882572 | 0.76 | — | — | |
| Methane SCHEMBL28356450 | 0.74 | — | — | |
| SCHEMBL5073589 | 0.69 | — | — | |
| SCHEMBL2485079 | 0.69 | — | — | |
| Methane SCHEMBL27938574 | 0.67 | ADRB1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9067551 | 0.67 | ADRB1 (0.41) | — | |
| SCHEMBL251934 | 0.65 | MEN1 (0.33) | — |
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-20090309016-A1 | Method and apparatus for Detecting Explosives | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) | 2009-12-17 | — | — | US | claimed |
| 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 | claimed |
| CN-110343205-A | Side group functionalized polyisobutylene base thermoplastic elastomer and preparation method thereof | 北京化工大学 | 2019-10-18 | — | — | CN | disclosed |
| US-20090309016-A1 | Method and apparatus for Detecting Explosives | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) | 2009-12-17 | — | — | US | disclosed |