⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1143190 | 1.00 | — | — | |
| SCHEMBL6274378 | 1.00 | — | — | |
| Oxirane SCHEMBL607913 | 0.93 | CYP1A2 (0.43) | — | |
| Oxalic Acid SCHEMBL31339543 | 0.89 | CYP1A2 (0.41) | — | |
| SCHEMBL8159611 | 0.88 | — | — | |
| SCHEMBL31244839 | 0.88 | — | — | |
| SCHEMBL7164397 | 0.88 | — | — | |
| SCHEMBL7156515 | 0.86 | CYP1A2 (0.63) | — | |
| SCHEMBL5691674 | 0.86 | CYP1A2 (0.63) | — | |
| SCHEMBL8176788 | 0.84 | CYP1A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000077072-A1 | SOLUBLE POLYFUNCTIONAL INITIATORS FOR LACTONE RING-OPENING POLYMERIZATION | THE PROCTER & GAMBLE COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |