⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2846075 | 0.74 | — | — | |
| SCHEMBL15053399 | 0.69 | — | — | |
| SCHEMBL465402 | 0.69 | — | — | |
| SCHEMBL27766768 | 0.69 | KMT2A (0.30) | — | |
| SCHEMBL8014506 | 0.67 | — | — | |
| SCHEMBL887928 | 0.67 | — | — | |
| SCHEMBL28218667 | 0.65 | — | — | |
| SCHEMBL17835294 | 0.65 | — | — | |
| SCHEMBL7424196 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL28822534 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080021054-A1 | COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE | NUMERATE, INC. | 2008-01-24 | — | — | US | disclosed |
| US-20040033994-A1 | Use of compounds comprising a nitrogen-oxygen heterocycle | JOMAA HASSAN (DE) | 2004-02-19 | — | — | US | disclosed |
| US-5849754-A | Bicyclic amine derivatives | ZENECA LIMITED (GB) | 1998-12-15 | — | — | US | disclosed |