⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21785106 | 1.00 | — | — | |
| SCHEMBL855305 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL20515851 | 0.97 | TSHR (0.32) | — | |
| SCHEMBL27261495 | 0.81 | — | — | |
| SCHEMBL27270008 | 0.81 | — | — | |
| SCHEMBL21914901 | 0.80 | MMP1 (0.33) | — | |
| SCHEMBL18907364 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL15314112 | 0.79 | CHRM1 (0.39) | — | |
| SCHEMBL8777487 | 0.79 | — | — | |
| SCHEMBL18914214 | 0.79 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143419-B2 | Trisubstituted 1,2,4-triazoles | JANSSEN PHARMACEUTICA N. V. (BE) | 2012-03-27 | — | — | US | disclosed |
| US-20090253691-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-08 | — | — | US | disclosed |
| US-20070018001-A1 | Optical data storage medium and its production and use | BAYER MATERIALSCIENCE AG | 2007-01-25 | — | — | US | disclosed |