⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7560632 | 0.69 | — | — | |
| SCHEMBL2368 | 0.69 | — | — | |
| SCHEMBL7620515 | 0.68 | CYP2C9 (0.42) | — | |
| SCHEMBL11767704 | 0.67 | — | — | |
| SCHEMBL6903125 | 0.67 | — | — | |
| SCHEMBL1362739 | 0.67 | — | — | |
| SCHEMBL28981368 | 0.67 | — | — | |
| SCHEMBL18588301 | 0.67 | — | — | |
| SCHEMBL1362738 | 0.67 | — | — | |
| SCHEMBL83778 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4351667-A | PLANT GROWTH REGULATORS | MONSANTO COMPANY (US) | 1982-09-28 | — | — | US | disclosed |
| US-4258196-A | REACTING THE ANION OF A PRIMARY OR SECONDARY 2-HALOACETAMIDE WITH AN ALKYLATING AGENT | MONSANTO COMPANY (US) | 1981-03-24 | — | — | US | disclosed |
| US-3960962-A | AMMONIA, PALLADIUM-PHOSPHINATED POLYSTYRENE RESIN CATALYST | ETHYL CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |