⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10952688 | 0.87 | TSHR (0.68) | — | |
| SCHEMBL167051 | 0.87 | TSHR (0.68) | — | |
| SCHEMBL20865104 | 0.86 | ZDHHC20 (0.57) | — | |
| Water SCHEMBL28173091 | 0.85 | TSHR (0.65) | — | |
| SCHEMBL3901763 | 0.80 | ALDH1A1 (0.59) | — | |
| SCHEMBL16384912 | 0.80 | TSHR (0.59) | — | |
| SCHEMBL8461710 | 0.80 | ALDH1A1 (0.84) | — | |
| SCHEMBL11759922 | 0.79 | ALDH1A1 (0.52) | — | |
| Acrylamide SCHEMBL7163814 | 0.78 | TSHR (0.56) | — | |
| SCHEMBL4735371 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9644076-B2 | Cross-linkers for hydrogels, hydrogels including these cross-linkers and applications thereof | Max-Planck-Gesellschaft zur Foerderung der Wissenschafen e. V. (DE) | 2017-05-09 | — | — | US | disclosed |