⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL232317 | 0.82 | — | — | |
| Formaldehyde SCHEMBL7545893 | 0.78 | — | — | |
| Water SCHEMBL27627341 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL370134 | 0.77 | — | — | |
| Water SCHEMBL187547 | 0.77 | — | — | |
| Bromide SCHEMBL3209609 | 0.77 | — | — | |
| Bromide SCHEMBL3209595 | 0.77 | NFKB1 (0.42) | — | |
| Water SCHEMBL28331162 | 0.77 | NFKB1 (0.42) | — | |
| Water SCHEMBL2976736 | 0.77 | NFKB1 (0.42) | — | |
| SCHEMBL7553746 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1653146-A | Radiation curable coating composition | DSM IP ASSETS BV (NL) | 2005-08-10 | — | — | CN | disclosed |