⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15107342 | 1.00 | — | — | |
| SCHEMBL13594467 | 1.00 | — | — | |
| SCHEMBL8044370 | 0.80 | — | — | |
| SCHEMBL12518152 | 0.80 | — | — | |
| SCHEMBL4572037 | 0.80 | — | — | |
| SCHEMBL10028544 | 0.78 | — | — | |
| SCHEMBL13410354 | 0.78 | GABRR1 (0.46) | — | |
| SCHEMBL11451967 | 0.77 | RNPEP (0.48) | — | |
| SCHEMBL859062 | 0.76 | — | — | |
| SCHEMBL13596631 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170043020-A1 | ANTIBODY-MEDIATED DISRUPTION OF QUORUM SENSING IN BACTERIA | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-02-16 | — | — | US | disclosed |