⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL542967 | 0.78 | TRPV3 (0.31) | — | |
| SCHEMBL534114 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL9309 | 0.75 | — | — | |
| SCHEMBL4047534 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL4990066 | 0.74 | — | — | |
| SCHEMBL27640435 | 0.74 | RAB9A (0.36) | — | |
| SCHEMBL28733761 | 0.74 | RAB9A (0.36) | — | |
| SCHEMBL28367075 | 0.68 | TDP1 (0.33) | — | |
| SCHEMBL4990062 | 0.68 | — | — | |
| SCHEMBL28056399 | 0.67 | — | — |
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 |