⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17696543 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL8356300 | 0.81 | — | — | |
| SCHEMBL28603680 | 0.76 | CYP3A4 (0.37) | — | |
| SCHEMBL28884998 | 0.73 | — | — | |
| SCHEMBL29955880 | 0.68 | FFAR3 (0.37) | — | |
| SCHEMBL28275942 | 0.68 | — | — | |
| SCHEMBL1285848 | 0.68 | FFAR3 (0.37) | — | |
| SCHEMBL18891064 | 0.68 | — | — | |
| SCHEMBL7355905 | 0.67 | PKM (0.31) | — | |
| SCHEMBL11980672 | 0.67 | ALOX15 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119936274-A | Headspace solid-phase microextraction method for rapidly identifying rosewood and toe-crossed rosewood seedlings | 中国林业科学研究院热带林业研究所 | 2025-05-06 | — | — | CN | disclosed |
| US-11690528-B2 | Breath analysis system and methods for asthma, tuberculosis and lung cancer diagnostics and disease management | TricornTech Taiwan (TW) | 2023-07-04 | — | — | US | disclosed |
| US-20200178842-A1 | BREATH ANALYSIS SYSTEM AND METHODS FOR ASTHMA, TUBERCULOSIS AND LUNG CANCER DIAGNOSTICS AND DISEASE MANAGEMENT | TRICORNTECH CORPORATION (TW) | 2020-06-11 | — | — | US | disclosed |
| US-10568541-B2 | Breath analysis systems and methods for asthma, tuberculosis and lung cancer diagnostics and disease management | TricornTech Taiwan (TW) | 2020-02-25 | — | — | US | disclosed |
| CN-102253159-B | Method for analyzing tobacco flavor components by adopting multi-dimensional hyphenated chromatographic technique | ZHENGZHOU TOBACCO RES CNTC | 2014-02-12 | — | — | CN | disclosed |
| CN-102253159-A | Method for analyzing tobacco flavor components by adopting multi-dimensional hyphenated chromatographic technique | ZHENGZHOU TOBACCO RES CNTC | 2011-11-23 | — | — | CN | disclosed |
| US-20100137733-A1 | BREATH ANALYSIS SYSTEMS AND METHODS FOR ASTHMA, TUBERCULOSIS AND LUNG CANCER DIAGNOSTICS AND DISEASE MANAGEMENT | TRICORN TECH CORPORATION (US) | 2010-06-03 | — | — | US | disclosed |