⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15426767 | 0.84 | CCR1 (0.33) | — | |
| SCHEMBL8444732 | 0.80 | — | — | |
| SCHEMBL738901 | 0.77 | — | — | |
| SCHEMBL29725190 | 0.77 | — | — | |
| SCHEMBL17325916 | 0.75 | — | — | |
| SCHEMBL2600117 | 0.75 | — | — | |
| SCHEMBL1126767 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL30046158 | 0.75 | ALDH1A1 (0.57) | — | |
| SCHEMBL247437 | 0.75 | — | — | |
| SCHEMBL29725203 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020198026-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-10-01 | — | — | WO | disclosed |
| WO-2019183587-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| EP-2064204-B1 | INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) | MERCK SHARP & DOHME (US) | 2012-02-01 | — | — | EP | disclosed |