⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29415159 | 1.00 | — | — | |
| SCHEMBL167260 | 1.00 | — | — | |
| Carbamic Acid SCHEMBL11790906 | 0.84 | IDO1 (0.47) | — | |
| SCHEMBL20898226 | 0.79 | TDP2 (0.47) | — | |
| SCHEMBL29490721 | 0.79 | — | — | |
| SCHEMBL529658 | 0.79 | — | — | |
| 2,4-Dichlorofluorobenzene SCHEMBL530773 | 0.79 | — | — | |
| 2,4-Dichlorofluorobenzene SCHEMBL29481133 | 0.79 | — | — | |
| SCHEMBL168149 | 0.77 | — | — | |
| SCHEMBL7402724 | 0.77 | AHR (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1506175-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097609-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-11-27 | — | — | WO | disclosed |