⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22911644 | 0.97 | DNM1 (0.50) | — | |
| SCHEMBL599023 | 0.93 | — | — | |
| Ethylene Glycol SCHEMBL29044363 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL29003974 | 0.77 | CA12 (0.56) | — | |
| SCHEMBL6901948 | 0.75 | CA12 (0.52) | — | |
| Putrescine SCHEMBL21642 | 0.68 | — | — | |
| Putrescine SCHEMBL160836 | 0.68 | NFKB1 (1.00) | — | |
| SCHEMBL25262966 | 0.64 | DNM1 (1.00) | — | |
| SCHEMBL22684932 | 0.64 | DNM1 (1.00) | — | |
| Putrescine SCHEMBL22227753 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3212292-B1 | POLYMER COMPRISING ALKOXYSILANE GROUPS AND USE IN COSMETICS | OREAL (FR) | 2021-01-20 | — | — | EP | disclosed |