⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6224411 | 0.62 | — | — | |
| SCHEMBL28180618 | 0.62 | — | — | |
| SCHEMBL4852622 | 0.62 | — | — | |
| SCHEMBL11636007 | 0.62 | — | — | |
| SCHEMBL4757408 | 0.60 | — | — | |
| SCHEMBL30248 | 0.60 | — | — | |
| SCHEMBL11179277 | 0.60 | — | — | |
| SCHEMBL11196444 | 0.59 | — | — | |
| SCHEMBL29327292 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL28109898 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209428-A | Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders | ACUCELA INC | 2015-12-30 | — | — | CN | disclosed |