⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL2524973 | 0.93 | — | — | |
| SCHEMBL1538375 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL37264 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL20582128 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL7764417 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL143831 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL36823 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL13888533 | 0.85 | ODC1 (0.36) | — | |
| SCHEMBL13888531 | 0.83 | NFKB1 (0.32) | — | |
| Water SCHEMBL19548084 | 0.83 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-9090542-B2 | Methods for labeling a substrate using a hetero-diels-alder reaction | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20110257047-A1 | Methods for Labeling a Substrate Using a Hetero-Diels-Alder Reaction | NATIONAL SCIENCE FOUNDATION | 2011-10-20 | — | — | US | disclosed |
| US-20110108411-A1 | METHODS FOR LABELING A SUBSTRATE USING A HETERO-DIELS-ALDER REACTION | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. | 2011-05-12 | — | — | US | disclosed |
| US-7524977-B2 | Process for producing fluoroalkanesulfonamide derivatives | CENTRAL GLASS COMPANY, LIMITED (JP) | 2009-04-28 | — | — | US | disclosed |
| US-7524977-B2 | Process for producing fluoroalkanesulfonamide derivatives | CENTRAL GLASS COMPANY, LIMITED (JP) | 2009-04-28 | — | — | US | disclosed |
| US-20080058538-A1 | Process for producing fluoroalkanesulfonamide derivatives | CENTRAL GLASS COMPANY, LIMITED (JP) | 2008-03-06 | — | — | US | disclosed |
| US-20080058538-A1 | Process for producing fluoroalkanesulfonamide derivatives | CENTRAL GLASS COMPANY, LIMITED (JP) | 2008-03-06 | — | — | US | disclosed |