⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14826664 | 0.72 | SOS1 (0.47) | — | |
| SCHEMBL14826662 | 0.72 | SOS1 (0.33) | — | |
| SCHEMBL2020974 | 0.69 | — | — | |
| SCHEMBL21150992 | 0.65 | — | — | |
| SCHEMBL8622664 | 0.65 | — | — | |
| SCHEMBL8606512 | 0.61 | ALPL (0.32) | — | |
| SCHEMBL21185423 | 0.61 | — | — | |
| SCHEMBL21154707 | 0.61 | — | — | |
| SCHEMBL292493 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL5781319 | 0.60 | ALPL (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4089672-A | HERBICIDES | THE UPJOHN COMPANY (US) | 1978-05-16 | — | — | US | disclosed |
| US-4084955-A | 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES | THE UPJOHN COMPANY (US) | 1978-04-18 | — | — | US | disclosed |