⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2891715 | 0.79 | CRBN (0.53) | — | |
| SCHEMBL1658 | 0.75 | — | — | |
| SCHEMBL19413892 | 0.75 | — | — | |
| Water SCHEMBL571469 | 0.72 | — | — | |
| Diacetamide SCHEMBL97089 | 0.71 | — | — | |
| SCHEMBL435777 | 0.71 | — | — | |
| SCHEMBL10023022 | 0.69 | — | — | |
| Diacetamide SCHEMBL5457636 | 0.68 | — | — | |
| Diacetamide SCHEMBL5461250 | 0.68 | — | — | |
| Diacetamide SCHEMBL5459490 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103501606-B | For coupling agent and the sterilization composition of medium chain fatty acid | ECOLAB USA INC. (US) | 2015-10-21 | — | — | CN | disclosed |
| CN-103501606-A | Couplers for medium-chain fatty acids and disinfecting compositions | ECOLAB USA INC | 2014-01-08 | — | — | CN | disclosed |