⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25517640 | 0.76 | — | — | |
| SCHEMBL20847897 | 0.74 | — | — | |
| SCHEMBL21534518 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL18558970 | 0.69 | — | — | |
| SCHEMBL18655734 | 0.69 | — | — | |
| SCHEMBL19139267 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL18400561 | 0.65 | — | — | |
| SCHEMBL18625133 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL18866673 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL19230169 | 0.64 | — | — |
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-20170165270-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | PFIZER INC. (US) | 2017-06-15 | — | — | US | disclosed |