⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8259926 | 1.00 | — | — | |
| SCHEMBL13469277 | 0.92 | ALDH1A1 (0.55) | — | |
| SCHEMBL3800694 | 0.92 | ALDH1A1 (0.55) | — | |
| SCHEMBL13138602 | 0.90 | ALDH1A1 (0.59) | — | |
| SCHEMBL258876 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL21919473 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL1131574 | 0.86 | ENPEP (0.36) | — | |
| SCHEMBL9653314 | 0.85 | S1PR2 (0.57) | — | |
| SCHEMBL9652893 | 0.85 | S1PR2 (0.57) | — | |
| SCHEMBL27795208 | 0.85 | S1PR2 (0.57) | — |
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-114437334-B | Polyether amine compound, preparation method and application thereof | 中国石油化工股份有限公司 | 2023-07-14 | — | — | CN | claimed |
| CN-114437334-A | Polyether amine compound and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-05-06 | — | — | CN | claimed |
| JP-62277354-A | — | — | None | — | — | JP | disclosed |
| CN-114437334-B | Polyether amine compound, preparation method and application thereof | 中国石油化工股份有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-114437334-A | Polyether amine compound and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-108395845-A | Semiconductor processes composition and processing method | JSR株式会社 | 2018-08-14 | — | — | CN | disclosed |
| WO-2005051915-A1 | PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | MERCK & CO., INC. (US) | 2005-06-09 | — | — | WO | disclosed |
| JP-S62277354-A | SYNTHESIS OF INDOLE COMPOUND | MITSUI TOATSU CHEM INC | 1987-12-02 | — | — | JP | disclosed |