⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL624702 | 0.97 | — | — | |
| Phosphoric Acid SCHEMBL30876139 | 0.94 | PEPD (0.46) | — | |
| Phosphonic Acid SCHEMBL29242342 | 0.87 | PEPD (0.41) | — | |
| Acrylic Acid SCHEMBL30848498 | 0.81 | PEPD (0.46) | — | |
| SCHEMBL777492 | 0.77 | — | — | |
| SCHEMBL27728715 | 0.76 | BTN3A1 (0.50) | — | |
| SCHEMBL28314244 | 0.76 | PEPD (0.46) | — | |
| SCHEMBL8937989 | 0.75 | HSD17B10 (0.38) | — | |
| SCHEMBL11591822 | 0.74 | PEPD (0.56) | — | |
| SCHEMBL777491 | 0.73 | HSD17B10 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-213975975-U | Guiding mechanism is used in production and processing of poly isopropyl alkene sodium phosphate | 南通联膦化工有限公司 | 2021-08-17 | — | — | CN | disclosed |