⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10226559 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL13739001 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL8085938 | 0.76 | — | — | |
| SCHEMBL14481999 | 0.75 | — | — | |
| SCHEMBL20899814 | 0.74 | — | — | |
| SCHEMBL9156755 | 0.74 | — | — | |
| SCHEMBL8538492 | 0.72 | — | — | |
| SCHEMBL11093752 | 0.72 | — | — | |
| SCHEMBL11100392 | 0.72 | — | — | |
| SCHEMBL13636298 | 0.72 | ALDH1A1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250313574-A1 | SIALIC ACID DERIVATIVES AND METHODS OF USING SAME | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2025-10-09 | — | — | US | disclosed |
| EP-4536653-A2 | SIALIC ACID DERIVATIVES AND METHODS OF USING SAME | Eisai R&D Management Co., Ltd. (JP) | 2025-04-16 | — | — | EP | disclosed |
| WO-2023239906-A2 | SIALIC ACID DERIVATIVES AND METHODS OF USING SAME | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2023-12-14 | — | — | WO | disclosed |
| EP-0474411-A1 | Production of diethanolamine derivatives and their intermediates | Takeda Chemical Industries, Ltd. (JP) | 1992-03-11 | — | — | EP | disclosed |
| US-5037991-A | Insecticides | SANDOZ LTD. (CH) | 1991-08-06 | — | — | US | disclosed |
| EP-0025907-B1 | HALOGENATED TERTIARY ALKYL ISOCYANATES AND PROCESS FOR THEIR PREPARATION | BASF Aktiengesellschaft (DE) | 1984-06-20 | — | — | EP | disclosed |
| US-4344891-A | Halogenated tertiary alkyl isocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |
| EP-0025907-A1 | Halogenated tertiary alkyl isocyanates and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-04-01 | — | — | EP | disclosed |