⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16792299 | 0.73 | — | — | |
| SCHEMBL15415294 | 0.73 | ESR2 (0.44) | — | |
| SCHEMBL3717375 | 0.64 | — | — | |
| SCHEMBL16792447 | 0.62 | — | — | |
| SCHEMBL15415995 | 0.62 | — | — | |
| SCHEMBL15415255 | 0.61 | SLC6A2 (0.33) | — | |
| SCHEMBL19410890 | 0.60 | — | — | |
| SCHEMBL15414793 | 0.60 | HTR1A (0.31) | — | |
| SCHEMBL15414969 | 0.60 | — | — | |
| SCHEMBL15415327 | 0.59 | MAOA (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9988383-B2 | Purine derivatives as modulators of TNF activity | UCB BIOPHARMA SPRL (BE) | 2018-06-05 | — | — | US | disclosed |
| US-9714251-B2 | Imidazotriazine derivatives as modulators of TNF activity | UCB BIOPHARMA SPRL (BE) | 2017-07-25 | — | — | US | disclosed |
| US-20160376276-A1 | Imidazotriazine Derivatives as Modulators of TNF Activity | UCB BIOPHARMA SPRL (BE) | 2016-12-29 | — | — | US | disclosed |
| US-20160297818-A1 | Purine Derivatives As Modulators of TNF Activity | UCB BIOPHARMA SPRL (BE) | 2016-10-13 | — | — | US | disclosed |
| EP-2872508-A1 | IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB Biopharma SPRL (BE) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014009295-A1 | IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB PHARMA S.A. (BE) | 2014-01-16 | — | — | WO | disclosed |