⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL70822 | 1.00 | — | — | |
| SCHEMBL29635640 | 1.00 | — | — | |
| SCHEMBL1794813 | 0.98 | ACHE (0.54) | — | |
| Water SCHEMBL27909580 | 0.98 | ACHE (0.54) | — | |
| Naphthalene SCHEMBL10873174 | 0.91 | CYP2A6 (0.59) | — | |
| SCHEMBL9628833 | 0.91 | RELA (0.58) | — | |
| SCHEMBL4621505 | 0.91 | NPC1 (0.51) | — | |
| SCHEMBL792094 | 0.87 | CYP1A1 (0.57) | — | |
| Boric Acid SCHEMBL27272586 | 0.86 | ENPP2 (0.52) | — | |
| Phenol SCHEMBL28303203 | 0.86 | TSHR (0.52) | — |
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 |