⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2294954 | 0.69 | — | — | |
| SCHEMBL3387540 | 0.69 | — | — | |
| SCHEMBL10181570 | 0.67 | — | — | |
| SCHEMBL1116189 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL22804215 | 0.67 | — | — | |
| Tert-Butanol SCHEMBL7344924 | 0.65 | — | — | |
| Tert-Butanol SCHEMBL20590318 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL1605512 | 0.63 | — | — | |
| SCHEMBL792741 | 0.63 | — | — | |
| SCHEMBL5964792 | 0.63 | — | — |
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-4052416-A | FIRE RETARDANTS, FUEL ADDITIVES, AGRICULTURE, PLASTICIZING, CHEMICAL INTERMEDIATES | ALELIO GAETANO F D | 1977-10-04 | — | — | US | disclosed |
| US-3985835-A | A PHOSPHORUS-HALOGEN-NITROGEN CONTAINING COMPOUND | ALELIO GAETANO F D | 1976-10-12 | — | — | US | disclosed |
| US-3970727-A | Halogenated esters of phosphorus-containing acids | ALELIO GAETANO F D | 1976-07-20 | — | — | US | disclosed |