⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20274696 | 1.00 | — | — | |
| SCHEMBL12512910 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL19087195 | 0.75 | — | — | |
| SCHEMBL2730981 | 0.75 | — | — | |
| SCHEMBL2730979 | 0.75 | — | — | |
| SCHEMBL13772769 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL20816991 | 0.74 | — | — | |
| SCHEMBL20816992 | 0.74 | — | — | |
| SCHEMBL15990519 | 0.74 | — | — | |
| SCHEMBL17772221 | 0.73 | — | — |
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-2020185830-A1 | CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE | Nocion Therapeutics, Inc. (US) | 2020-09-17 | — | — | WO | disclosed |
| EP-2796451-B1 | HETEROCYCLE AMIDO ALKYLOXY SUBSTITUTED QUINAZOLINE DERIVATIVE AND USE THEREOF | QIAN WEI (CN) | 2018-08-01 | — | — | EP | disclosed |
| WO-2018049068-A1 | N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE | PLIANT THERAPEUTICS, INC. (US) | 2018-03-15 | — | — | WO | disclosed |