⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16673765 | 0.77 | — | — | |
| SCHEMBL4523110 | 0.74 | FAP (0.30) | — | |
| SCHEMBL8311599 | 0.74 | FAP (0.30) | — | |
| SCHEMBL9486743 | 0.74 | FAP (0.30) | — | |
| SCHEMBL1686983 | 0.74 | FAP (0.30) | — | |
| SCHEMBL7811433 | 0.74 | FAP (0.30) | — | |
| SCHEMBL7811435 | 0.74 | FAP (0.30) | — | |
| SCHEMBL8311603 | 0.74 | FAP (0.30) | — | |
| SCHEMBL18155365 | 0.71 | USP2 (0.36) | — | |
| SCHEMBL22582139 | 0.71 | USP2 (0.31) | — |
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-20180148439-A1 | DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS | ARIXA PHARMACEUTICALS, INC. | 2018-05-31 | — | — | US | disclosed |
| US-20170298057-A1 | DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS | ARIXA PHARMACEUTICALS, INC. | 2017-10-19 | — | — | US | disclosed |