⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9868411 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL9222321 | 0.80 | — | — | |
| SCHEMBL9724921 | 0.76 | — | — | |
| SCHEMBL20261924 | 0.76 | — | — | |
| SCHEMBL5233212 | 0.76 | — | — | |
| SCHEMBL839656 | 0.76 | — | — | |
| SCHEMBL20232410 | 0.76 | — | — | |
| SCHEMBL2931918 | 0.76 | — | — | |
| SCHEMBL3381726 | 0.76 | — | — | |
| SCHEMBL6984560 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110092782-A | A kind of benzo six-membered heterocycle compound and its preparation method and application | 中国科学院广州生物医药与健康研究院 | 2019-08-06 | — | — | CN | disclosed |
| US-6284784-B1 | 2-HYDROXYMETHYL DERIVATIVES | GEORGETOWN UNIVERSITY | 2001-09-04 | — | — | US | disclosed |
| EP-1015427-A1 | SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC | GEORGETOWN UNIVERSITY (US) | 2000-07-05 | — | — | EP | disclosed |
| US-5962504-A | ACTIVATOR OF PROTEIN KINASE; ANTICANCER AGENT | GEORGETOWN UNIVERSITY (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1999012901-A1 | SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC | GEORGETOWN UNIVERSITY (US) | 1999-03-18 | — | — | WO | disclosed |