⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29635658 | 1.00 | — | — | |
| SCHEMBL165706 | 1.00 | — | — | |
| Water SCHEMBL28237316 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27777173 | 0.97 | MEN1 (0.52) | — | |
| Hydrogen Sulfide SCHEMBL28292165 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL4265090 | 0.97 | — | — | |
| Chloromethane SCHEMBL27654417 | 0.95 | MEN1 (0.50) | — | |
| Bromide SCHEMBL28196870 | 0.95 | MEN1 (0.50) | — | |
| Bromide SCHEMBL28196869 | 0.95 | MEN1 (0.50) | — | |
| Ethane SCHEMBL27840710 | 0.95 | MEN1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012163959-A1 | INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2012-12-06 | — | — | WO | disclosed |
| 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 |