⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8661024 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL1477929 | 0.60 | CES2 (0.30) | — | |
| SCHEMBL1826218 | 0.60 | CYP1A2 (0.32) | — | |
| SCHEMBL19996797 | 0.59 | — | — | |
| SCHEMBL302728 | 0.59 | — | — | |
| SCHEMBL6662462 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL7039938 | 0.56 | — | — | |
| SCHEMBL18774732 | 0.56 | — | — | |
| SCHEMBL14959006 | 0.55 | — | — | |
| SCHEMBL23944932 | 0.54 | PARP1 (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2369989-A1 | BREATH ANALYSIS SYSTEMS AND METHODS FOR ASTHMA, TUBERCULOSIS AND LUNG CANCER DIAGNOSTICS AND DISEASE MANAGEMENT | Tricorntech Corporation (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010065452-A1 | BREATH ANALYSIS SYSTEMS AND METHODS FOR ASTHMA, TUBERCULOSIS AND LUNG CANCER DIAGNOSTICS AND DISEASE MANAGEMENT | TRICORNTECH CORPORATION (US) | 2010-06-10 | — | — | WO | 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 |