⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1065538 | 0.94 | — | — | |
| SCHEMBL7738617 | 0.91 | PTGS2 (0.32) | — | |
| SCHEMBL7739152 | 0.91 | PTGS2 (0.32) | — | |
| SCHEMBL7739517 | 0.91 | PTGS2 (0.32) | — | |
| SCHEMBL7739278 | 0.91 | PTGS2 (0.32) | — | |
| SCHEMBL1275373 | 0.91 | — | — | |
| SCHEMBL542247 | 0.87 | — | — | |
| SCHEMBL14720862 | 0.75 | — | — | |
| SCHEMBL4454485 | 0.73 | — | — | |
| SCHEMBL12983289 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116710430-A | Methods and compounds for restoring mutant p53 function | 皮姆维制药公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-114901283-A | Therapeutic and prophylactic agent for functional digestive tract disorder and xerostomia | 日本新药株式会社 | 2022-08-12 | — | — | CN | disclosed |
| US-20200392107-A1 | CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2020-12-17 | — | — | US | disclosed |
| EP-3747879-A1 | CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | Toray Industries, Inc. (JP) | 2020-12-09 | — | — | EP | disclosed |
| EP-3149001-A1 | NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS | Novartis AG (CH) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015181747-A1 | NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS | NOVARTIS AG (CH) | 2015-12-03 | — | — | WO | disclosed |
| US-8415272-B2 | Quinoline derivatives and their use as fungicides | SYNGENTA CROP PROTECTION LLC (US) | 2013-04-09 | — | — | US | disclosed |
| US-20100280068-A1 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-04 | — | — | US | disclosed |