⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24798926 | 0.60 | TSHR (0.36) | — | |
| SCHEMBL3468794 | 0.57 | — | — | |
| SCHEMBL3468797 | 0.57 | — | — | |
| SCHEMBL23518772 | 0.57 | — | — | |
| SCHEMBL20327720 | 0.50 | — | — | |
| SCHEMBL20787050 | 0.50 | — | — | |
| SCHEMBL23894391 | 0.50 | — | — | |
| SCHEMBL20726176 | 0.47 | — | — | |
| SCHEMBL14730226 | 0.47 | — | — | |
| SCHEMBL6832961 | 0.41 | — | — |
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-20130143247-A1 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2013-06-06 | — | — | US | claimed |
| WO-2012023138-A2 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2012-02-23 | — | — | WO | claimed |
| US-9315848-B2 | Volatile organic compounds for detecting cell dysplasia and genetic alterations associated with lung cancer | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2016-04-19 | — | — | US | disclosed |
| US-20130143247-A1 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2013-06-06 | — | — | US | disclosed |
| WO-2012023138-A2 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2012-02-23 | — | — | WO | disclosed |