⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9665002 | 0.64 | — | — | |
| SCHEMBL3718306 | 0.59 | TYMP (0.31) | — | |
| SCHEMBL1199564 | 0.58 | — | — | |
| SCHEMBL1020681 | 0.55 | TDP2 (0.41) | — | |
| SCHEMBL9910657 | 0.54 | NSD3 (0.30) | — | |
| SCHEMBL4883832 | 0.54 | — | — | |
| SCHEMBL10698864 | 0.54 | — | — | |
| SCHEMBL7584628 | 0.51 | — | — | |
| SCHEMBL639499 | 0.51 | — | — | |
| SCHEMBL19031995 | 0.50 | — | — |
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-9988380-B2 | Quorum sensing inhibitors | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2018-06-05 | — | — | US | disclosed |
| US-20150353545-A1 | QUORUM SENSING INHIBITORS | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2015-12-10 | — | — | US | disclosed |