⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9980025 | 0.59 | — | — | |
| SCHEMBL19857298 | 0.53 | — | — | |
| SCHEMBL154501 | 0.50 | — | — | |
| SCHEMBL3136986 | 0.47 | — | — | |
| Bromide SCHEMBL11778838 | 0.47 | — | — | |
| SCHEMBL10385843 | 0.43 | — | — | |
| SCHEMBL8261613 | 0.43 | — | — | |
| SCHEMBL167536 | 0.43 | — | — | |
| SCHEMBL4275853 | 0.43 | — | — | |
| SCHEMBL2741523 | 0.43 | — | — |
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-20130029366-A9 | PTP1B INHIBITORS | COLD SPRING HARBOR LABORATORY (US) | 2013-01-31 | — | — | US | disclosed |
| US-20120164673-A1 | PTP1B INHIBITORS | COLD SPRING HARBOR LABORATORY (US) | 2012-06-28 | — | — | US | disclosed |