⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2746921 | 0.73 | — | — | |
| SCHEMBL7217890 | 0.69 | — | — | |
| SCHEMBL888536 | 0.63 | KCNN4 (0.33) | — | |
| SCHEMBL5701977 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL9803342 | 0.61 | KCNN4 (0.33) | — | |
| SCHEMBL312356 | 0.58 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL7783594 | 0.58 | — | — | |
| Perfluorotoluene SCHEMBL308464 | 0.58 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL24254665 | 0.58 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL24254814 | 0.58 | SMN1; SMN2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005094327-A9 | ISOLATION OF EPITHELIAL CELLS OR THEIR BIOCHEMICAL CONTENTS FROM EXCRETA AFTER IN VIVO ISOTOPIC LABELING | UNIV CALIFORNIA (US) | 2006-10-19 | — | — | WO | disclosed |
| US-20050238577-A1 | Isolation of epithelial cells or their biochemical contents from excreta after in vivo isotopic labeling | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-10-27 | — | — | US | disclosed |
| WO-2005094327-A2 | ISOLATION OF EPITHELIAL CELLS OR THEIR BIOCHEMICAL CONTENTS FROM EXCRETA AFTER IN VIVO ISOTOPIC LABELING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-10-13 | — | — | WO | disclosed |