⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6613808 | 1.00 | — | — | |
| SCHEMBL25079039 | 0.82 | — | — | |
| SCHEMBL18865183 | 0.79 | — | — | |
| SCHEMBL54424 | 0.79 | — | — | |
| SCHEMBL6615647 | 0.77 | SLC6A4 (0.33) | — | |
| SCHEMBL6615643 | 0.77 | SLC6A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27147788 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL22532913 | 0.76 | — | — | |
| SCHEMBL6614729 | 0.73 | KDM4E (0.36) | — | |
| SCHEMBL6621976 | 0.73 | KDM4E (0.36) | — |
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 |