⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18287861 | 0.76 | CDK1 (0.34) | — | |
| SCHEMBL22047273 | 0.72 | CDK1 (0.32) | — | |
| SCHEMBL12206794 | 0.67 | ADORA2A (0.36) | — | |
| SCHEMBL8840757 | 0.67 | FGFR1 (0.35) | — | |
| SCHEMBL18165658 | 0.67 | — | — | |
| SCHEMBL24538994 | 0.66 | TET2 (0.40) | — | |
| SCHEMBL10137844 | 0.66 | ADORA2A (0.38) | — | |
| SCHEMBL10137834 | 0.66 | CDK1 (0.34) | — | |
| SCHEMBL22327308 | 0.64 | CDK1 (0.33) | — | |
| SCHEMBL22815034 | 0.63 | CDK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622945-A | Rubyrin macrocycles | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1997-04-22 | — | — | US | disclosed |
| US-5410045-A | As anion chelators, receptors and transporters | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-04-25 | — | — | US | disclosed |