⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11673154 | 0.80 | — | — | |
| SCHEMBL14378660 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL7056190 | 0.78 | — | — | |
| SCHEMBL7290307 | 0.78 | — | — | |
| SCHEMBL14039669 | 0.76 | — | — | |
| Diethanolamine SCHEMBL27467837 | 0.73 | — | — | |
| SCHEMBL10292252 | 0.72 | CA12 (0.50) | — | |
| SCHEMBL7053430 | 0.71 | — | — | |
| SCHEMBL12580979 | 0.71 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.69 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007127440-A2 | HETEROFUNCTIONAL POLY(ETHYLENE GLYCOL) CONTAINING ACID-LABILE AMINO PROTECTING GROUPS AND USES THEREOF | INTEZYNE TECHNOLOGIES, INC. (US) | 2007-11-08 | — | — | WO | disclosed |