⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7986232 | 0.79 | CYP11B1 (0.32) | — | |
| SCHEMBL6615383 | 0.79 | OPRM1 (0.34) | — | |
| SCHEMBL6615382 | 0.79 | CHRNB2 (0.30) | — | |
| SCHEMBL6619579 | 0.76 | SLC6A4 (0.34) | — | |
| SCHEMBL6615792 | 0.76 | CHRNB2 (0.32) | — | |
| SCHEMBL7690570 | 0.74 | CYP11B2 (0.31) | — | |
| SCHEMBL6618428 | 0.72 | RIPK2 (0.34) | — | |
| SCHEMBL6615239 | 0.72 | — | — | |
| SCHEMBL7230266 | 0.72 | OPRL1 (0.44) | — | |
| SCHEMBL6618168 | 0.71 | CHRNB2 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020061913-A1 | Bicyclic amine derivatives | SYNGENTA LIMITED (GB) | 2002-05-23 | — | — | US | disclosed |
| US-6291474-B1 | COMBATING AND CONTROLLING INSECT, ACARINE OR NEMATODE PESTS | ZENECA LIMITED (GB) | 2001-09-18 | — | — | US | disclosed |
| US-6177442-B1 | INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES | ZENECA LIMITED (GB) | 2001-01-23 | — | — | US | disclosed |
| US-5968947-A | INSECTICIDES, ACARICIDES, NEMATOCIDES | ZENECA LIMITED (GB) | 1999-10-19 | — | — | US | disclosed |