⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28248647 | 0.62 | — | — | |
| SCHEMBL247882 | 0.62 | — | — | |
| SCHEMBL1320186 | 0.62 | — | — | |
| SCHEMBL23129014 | 0.62 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL28811882 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL7966992 | 0.59 | — | — | |
| SCHEMBL14752998 | 0.59 | — | — | |
| SCHEMBL26142178 | 0.59 | — | — | |
| SCHEMBL10151244 | 0.59 | — | — | |
| SCHEMBL779526 | 0.59 | — | — |
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-20180036416-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS | Graybug Vision, Inc. (US) | 2018-02-08 | — | — | US | disclosed |