⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28125493 | 0.79 | — | — | |
| SCHEMBL17928553 | 0.77 | KDM4E (0.36) | — | |
| SCHEMBL23072107 | 0.76 | PTGS1 (0.33) | — | |
| SCHEMBL2612162 | 0.75 | — | — | |
| SCHEMBL12824830 | 0.73 | PTGS1 (0.34) | — | |
| SCHEMBL20125607 | 0.73 | GAA (0.32) | — | |
| SCHEMBL18610456 | 0.73 | S1PR1 (0.33) | — | |
| SCHEMBL17624098 | 0.71 | — | — | |
| SCHEMBL9973960 | 0.71 | — | — | |
| SCHEMBL27493875 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261605-B1 | BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS | DARWIN DISCOVERY LTD (GB) | 2004-11-10 | — | — | EP | claimed |
| EP-1261605-A1 | BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS | Darwin Discovery Limited (GB) | 2002-12-04 | — | — | EP | claimed |
| US-6403791-B1 | TREATMENT OF INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES IN HUMANS OR ANIMALS | DARWIN DISCOVERY, LTD. (GB) | 2002-06-11 | — | — | US | claimed |
| WO-2001058896-A1 | BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS | DARWIN DISCOVERY LIMITED (GB) | 2001-08-16 | — | — | WO | claimed |
| US-9968587-B2 | Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2018-05-15 | — | — | US | disclosed |
| US-20180078526-A1 | HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2018-03-22 | — | — | US | disclosed |
| US-20160200678-A1 | HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2016-07-14 | — | — | US | disclosed |
| EP-1261605-B1 | BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS | DARWIN DISCOVERY LTD (GB) | 2004-11-10 | — | — | EP | disclosed |
| US-6403791-B1 | TREATMENT OF INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES IN HUMANS OR ANIMALS | DARWIN DISCOVERY, LTD. (GB) | 2002-06-11 | — | — | US | disclosed |