⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1773159 | 0.93 | — | — | |
| SCHEMBL1538375 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL7764417 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL37264 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL20582128 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL143831 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL36823 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL13888533 | 0.79 | ODC1 (0.36) | — | |
| SCHEMBL293352 | 0.78 | — | — | |
| SCHEMBL755734 | 0.78 | ALDH1A1 (0.31) | — |
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 2 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 |