⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11035480 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL2361101 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL5613216 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL28207198 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL345742 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL10605874 | 0.72 | HTR2A (0.31) | — | |
| SCHEMBL25434889 | 0.72 | HTR6 (0.38) | — | |
| SCHEMBL29145259 | 0.72 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9663743 | 0.72 | ALDH1A1 (0.32) | — | |
| Water SCHEMBL28147865 | 0.72 | ALDH1A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109310658-A | OPHTHALMIC COMPOSITIONS COMPRISING LEVODOPA, AN ANTIOXIDANT AND AN AQUEOUS CARRIER | 堪培拉大学 | 2019-02-05 | — | — | CN | claimed |
| CN-109310658-A | OPHTHALMIC COMPOSITIONS COMPRISING LEVODOPA, AN ANTIOXIDANT AND AN AQUEOUS CARRIER | 堪培拉大学 | 2019-02-05 | — | — | CN | disclosed |