⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7100546 | 0.89 | — | — | |
| SCHEMBL2098362 | 0.82 | — | — | |
| SCHEMBL25278743 | 0.80 | — | — | |
| SCHEMBL207966 | 0.80 | — | — | |
| SCHEMBL7905570 | 0.78 | TSHR (0.55) | — | |
| SCHEMBL959537 | 0.78 | — | — | |
| SCHEMBL6244976 | 0.78 | TSHR (0.55) | — | |
| SCHEMBL2587492 | 0.78 | TSHR (0.55) | — | |
| SCHEMBL7555214 | 0.78 | TSHR (0.55) | — | |
| SCHEMBL1683166 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004071956-A2 | POROUS CRYSTALLINE MATERIAL (ZEOLITE ITQ-24), PREPARATION METHOD THEREOF AND USE OF SAME IN THE CATALYTIC CONVERSION OF ORGANIC COMPOUNDS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) | 2004-08-26 | — | — | WO | disclosed |
| WO-2000018722-A2 | NEW DERIVATIVES OF 6-(4-PHENYLBUTOXY)HEXYLAMINE AND PROCESS FOR PRODUCING SALMETEROL | VITA-INVEST, S.A. (ES) | 2000-04-06 | — | — | WO | disclosed |