⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL30390571 | 0.75 | — | — | |
| SCHEMBL25299882 | 0.67 | — | — | |
| SCHEMBL12916911 | 0.63 | TSHR (0.40) | — | |
| SCHEMBL7710509 | 0.63 | — | — | |
| SCHEMBL14948794 | 0.57 | — | — | |
| SCHEMBL13269568 | 0.56 | TSHR (0.42) | — | |
| SCHEMBL3278830 | 0.56 | MEN1 (0.38) | — | |
| SCHEMBL21357986 | 0.56 | ALDH1A1 (0.48) | — | |
| SCHEMBL17229183 | 0.55 | — | — | |
| SCHEMBL11473960 | 0.55 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11701427-B2 | Diels-alder conjugation methods | REGENERON PHARMACEUTICALS, INC. (US) | 2023-07-18 | — | — | US | disclosed |
| EP-4135775-A1 | DIELS-ALDER CONJUGATION METHODS | Regeneron Pharmaceuticals, Inc. (US) | 2023-02-22 | — | — | EP | disclosed |
| US-20220378918-A1 | DIELS-ALDER CONJUGATION METHODS | REGENERON PHARMACEUTICALS INC. (US) | 2022-12-01 | — | — | US | disclosed |
| WO-2021211984-A1 | DIELS-ALDER CONJUGATION METHODS | REGENERON PHARMACEUTICALS, INC. (US) | 2021-10-21 | — | — | WO | disclosed |