⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL154798 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27782884 | 0.97 | — | — | |
| Chlorobenzene SCHEMBL27628409 | 0.85 | ADORA3 (0.47) | — | |
| Propylamine SCHEMBL15720251 | 0.85 | ADORA3 (0.36) | — | |
| SCHEMBL32909 | 0.78 | — | — | |
| SCHEMBL65511 | 0.78 | — | — | |
| Trifluoromethylbenzene SCHEMBL27850302 | 0.78 | KDM4E (0.48) | — | |
| Hydrochloric Acid SCHEMBL15477068 | 0.76 | — | — | |
| SCHEMBL9562215 | 0.76 | HSP90AA1 (0.50) | — | |
| Water SCHEMBL6396886 | 0.76 | HSP90AA1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025243221-A1 | REACTIVE HEVL-ABSORBING DYES | ALCON INC. (CH) | 2025-11-27 | — | — | WO | disclosed |
| WO-2025243219-A1 | REACTIVE DYES AND THEIR USE IN CONTACT LENSES | ALCON INC. (CH) | 2025-11-27 | — | — | WO | disclosed |
| CN-109020907-B | Novel synthesis method of 5-azacytosine | 山东第一医科大学(山东省医学科学院) | 2022-02-01 | — | — | CN | disclosed |