⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1676701 | 1.00 | — | — | |
| SCHEMBL10199831 | 1.00 | — | — | |
| SCHEMBL7678621 | 0.78 | — | — | |
| SCHEMBL19230493 | 0.78 | — | — | |
| SCHEMBL13527678 | 0.78 | — | — | |
| SCHEMBL24154544 | 0.74 | — | — | |
| SCHEMBL6576623 | 0.74 | — | — | |
| SCHEMBL3390705 | 0.74 | — | — | |
| SCHEMBL16355120 | 0.74 | — | — | |
| SCHEMBL14378298 | 0.74 | — | — |
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-8143375-B2 | Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2012-03-27 | — | — | US | disclosed |
| US-20100317832-A1 | AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION | ZEALAND PHARMA A/S (DK) | 2010-12-16 | — | — | US | disclosed |
| US-20100099676-A1 | SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 | SHIONOGI & CO., LTD. (JP) | 2010-04-22 | — | — | US | disclosed |