⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441585 | 1.00 | — | — | |
| SCHEMBL6731816 | 0.97 | CA3 (0.46) | — | |
| Methyl Alcohol SCHEMBL27969182 | 0.92 | CA3 (0.48) | — | |
| Methylamine SCHEMBL27969203 | 0.92 | CA3 (0.42) | — | |
| SCHEMBL384681 | 0.86 | PSEN1 (0.40) | — | |
| Tetrahydrofuran SCHEMBL28119237 | 0.82 | CA3 (0.35) | — | |
| SCHEMBL18782552 | 0.79 | MAOB (0.39) | — | |
| SCHEMBL14413 | 0.79 | — | — | |
| SCHEMBL30411804 | 0.79 | — | — | |
| SCHEMBL29350499 | 0.79 | — | — |
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 |