⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6652493 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL5461997 | 0.96 | — | — | |
| SCHEMBL27285776 | 0.82 | TSHR (0.36) | — | |
| Phosphoric Acid SCHEMBL17969452 | 0.82 | LAP3 (0.40) | — | |
| SCHEMBL4251011 | 0.79 | — | — | |
| SCHEMBL4251418 | 0.79 | — | — | |
| SCHEMBL27650549 | 0.73 | OPRM1 (0.40) | — | |
| SCHEMBL15310044 | 0.71 | LMNA (0.41) | — | |
| SCHEMBL1991621 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL4271787 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101528841-B | 1-butene propylene copolymer compositions | BASELL POLYOLEFINE GMBH | 2012-06-06 | — | — | CN | disclosed |
| WO-2004022603-A1 | HYALURONIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2004-03-18 | — | — | WO | disclosed |
| CN-1464876-A | Novel sulfone derivative and process for producing the same | SUMITOMO CHEMICAL CO (JP) | 2003-12-31 | — | — | CN | disclosed |
| CN-1308044-A | Dihalide and vitmin A derivative preparing method | SUMITOMO CHEMICAL CO (JP) | 2001-08-15 | — | — | CN | disclosed |