⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8362725 | 0.70 | — | — | |
| SCHEMBL584300 | 0.70 | — | — | |
| Water SCHEMBL28212767 | 0.67 | — | — | |
| Bromide SCHEMBL28104114 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4015648 | 0.67 | — | — | |
| Propane SCHEMBL152198 | 0.65 | — | — | |
| SCHEMBL857506 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL28139748 | 0.64 | — | — | |
| Trimethylammonium SCHEMBL28139747 | 0.64 | — | — | |
| SCHEMBL28268925 | 0.64 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023150394-A1 | METHODS FOR TREATMENT OF CANCER | FRONTIER MEDICINES CORPORATION (US) | 2023-08-10 | — | — | WO | disclosed |
| US-20170273286-A1 | Genetically Modified Major Histocompatibility Complex Animals | REGENERON PHARMACEUTICALS, INC. | 2017-09-28 | — | — | US | disclosed |
| US-9700025-B2 | Genetically modified major histocompatibility complex animals | REGENERON PHARMACEUTICALS, INC. (US) | 2017-07-11 | — | — | US | disclosed |
| EP-0421215-A2 | Process for the preparation of light and exhaust gas resistant PUH elastomer fibres and films and the elastomer fibres with the corresponding composition | BAYER AG (DE) | 1991-04-10 | — | — | EP | disclosed |