⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19018488 | 1.00 | — | — | |
| SCHEMBL19018487 | 1.00 | — | — | |
| SCHEMBL22109233 | 0.80 | — | — | |
| SCHEMBL19018802 | 0.74 | — | — | |
| SCHEMBL22109082 | 0.74 | — | — | |
| SCHEMBL19018754 | 0.74 | — | — | |
| SCHEMBL19018543 | 0.74 | — | — | |
| SCHEMBL19018521 | 0.74 | — | — | |
| SCHEMBL22109231 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL19018503 | 0.72 | TSHR (0.36) | — |
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-20200188540-A1 | CONFORMATIONALLY STRAINED TRANS-CYCLOALKENES FOR RADIOLABELING | UNIVERSITY OF DELAWARE (US) | 2020-06-18 | — | — | US | disclosed |
| WO-2017106253-A1 | CONFORMATIONALLY STRAINED TRANS-CYCLOALKENES FOR RADIOLABELING | FOX JOSEPH (US) | 2017-06-22 | — | — | WO | disclosed |