⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL7695827 | 1.00 | — | — | |
| Piperidine SCHEMBL27725665 | 1.00 | ALDH1A1 (0.90) | — | |
| Pyrrolidine SCHEMBL27709361 | 1.00 | ALDH1A1 (0.90) | — | |
| Piperidine SCHEMBL1427546 | 1.00 | — | — | |
| Azepane SCHEMBL3654409 | 1.00 | — | — | |
| Piperidine SCHEMBL1724607 | 0.95 | — | — | |
| Azepane SCHEMBL2485654 | 0.95 | ALDH1A1 (0.82) | — | |
| Azepane SCHEMBL29258022 | 0.95 | — | — | |
| Piperidine SCHEMBL28788272 | 0.95 | — | — | |
| Piperidine SCHEMBL18526795 | 0.95 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116891558-A | Styrene block copolymer composition and anion exchange membrane prepared therefrom | 科腾聚合物荷兰有限责任公司 | 2023-10-17 | — | — | CN | disclosed |
| US-5521044-A | SENSITIVITY, DURABILITY | MITA INDUSTRIAL CO., LTD. (JP) | 1996-05-28 | — | — | US | disclosed |