⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11077257 | 1.00 | — | — | |
| SCHEMBL8355201 | 0.76 | — | — | |
| SCHEMBL16595591 | 0.76 | — | — | |
| SCHEMBL18469304 | 0.74 | — | — | |
| SCHEMBL18661993 | 0.74 | — | — | |
| SCHEMBL19004834 | 0.73 | — | — | |
| SCHEMBL18595321 | 0.73 | — | — | |
| SCHEMBL20124273 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL22780850 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL13141618 | 0.72 | — | — |
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-2009131692-A1 | SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009102419-A2 | ALUMINUM RECOVERY PROCESS | THE UNIVERSITY OF ALABAMA (US) | 2009-08-20 | — | — | WO | disclosed |
| WO-2008151034-A1 | IMPROVED PROCESS FOR PURIFICATION OF ARYL CARBOXYLIC ACIDS | THE UNIVERSITY OF ALABAMA (US) | 2008-12-11 | — | — | WO | disclosed |