⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28704840 | 0.65 | — | — | |
| SCHEMBL28670759 | 0.65 | — | — | |
| SCHEMBL22792661 | 0.59 | — | — | |
| SCHEMBL22792816 | 0.59 | — | — | |
| SCHEMBL22792895 | 0.59 | — | — | |
| SCHEMBL27503336 | 0.59 | — | — | |
| SCHEMBL158403 | 0.59 | — | — | |
| SCHEMBL18691332 | 0.57 | — | — | |
| SCHEMBL28793521 | 0.55 | — | — | |
| SCHEMBL22941504 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102076689-B | Pyrazolo-quinazolines | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2014-10-15 | — | — | CN | disclosed |
| CN-102076689-A | Pyrazolo-quinazolines | NERVIANO MEDICAL SCIENCES SRL | 2011-05-25 | — | — | CN | disclosed |