⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3822833 | 0.71 | — | — | |
| SCHEMBL24136136 | 0.71 | — | — | |
| SCHEMBL18121971 | 0.69 | — | — | |
| SCHEMBL6055332 | 0.67 | — | — | |
| Thiourea SCHEMBL28075286 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL8986771 | 0.63 | — | — | |
| SCHEMBL11878779 | 0.63 | CTH (0.31) | — | |
| SCHEMBL9909119 | 0.63 | MAPT (0.44) | — | |
| SCHEMBL131896 | 0.63 | — | — | |
| SCHEMBL19245946 | 0.63 | — | — |
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-5849652-A | Metal containing catalysts and methods for making same | NORTHEASTERN UNIVERSITY (US) | 1998-12-15 | — | — | US | disclosed |
| US-5061313-A | SINGLE-PHASE, HOMOGENEOUS, HIGH SURFACE AREA | NORTHEASTERN UNIVERSITY (US) | 1991-10-29 | — | — | US | disclosed |
| US-4933003-A | SINGLE PHASE, HOMOGENEOUS AND HIGH SURFACE AREA | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1990-06-12 | — | — | US | disclosed |