⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25975650 | 1.00 | — | — | |
| SCHEMBL9079828 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL753089 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL9043256 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL9425876 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL9079391 | 0.89 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9425992 | 0.86 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9426243 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL12248116 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL3393464 | 0.78 | CA12 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230257396-A1 | MACROCYCLES AND THEIR USE | BLOSSOMHILL THERAPEUTICS INC (US) | 2023-08-17 | — | — | US | disclosed |