⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11646233 | 0.75 | — | — | |
| SCHEMBL18537453 | 0.72 | — | — | |
| SCHEMBL1240685 | 0.69 | — | — | |
| SCHEMBL9418557 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL23199594 | 0.67 | — | — | |
| SCHEMBL11648789 | 0.67 | — | — | |
| SCHEMBL13833790 | 0.67 | — | — | |
| SCHEMBL1029536 | 0.67 | — | — | |
| SCHEMBL405933 | 0.67 | — | — | |
| SCHEMBL28599095 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4108631-A | HERBICIDES, INSECTICIDES | ELI LILLY AND COMPANY (US) | 1978-08-22 | — | — | US | disclosed |
| US-RE29508-E | HERBICIDES AND INSECTICIDES | ELI LILLY AND COMPANY (US) | 1978-01-03 | — | — | US | disclosed |
| US-4011341-A | HERBICIDES | ELI LILLY AND COMPANY (US) | 1977-03-08 | — | — | US | disclosed |
| US-3989840-A | Control of animal parasites with ring-substituted N-(2,2-difluoroalkanoyl)-O-phenylenediamines | ELI LILLY AND COMPANY (US) | 1976-11-02 | — | — | US | disclosed |
| US-3962263-A | HERBICIDES | ELI LILLY AND COMPANY (US) | 1976-06-08 | — | — | US | disclosed |