⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3122552 | 0.86 | HTR2A (0.32) | — | |
| Fumaric Acid SCHEMBL5514919 | 0.85 | LMNA (0.40) | — | |
| Bromide SCHEMBL28091656 | 0.84 | HTR2A (0.32) | — | |
| SCHEMBL422565 | 0.82 | PIK3CD (0.30) | — | |
| Hydrochloric Acid SCHEMBL28252680 | 0.81 | — | — | |
| Bromide SCHEMBL27709045 | 0.80 | — | — | |
| Iodide SCHEMBL4277559 | 0.80 | — | — | |
| SCHEMBL2527713 | 0.78 | — | — | |
| SCHEMBL5944487 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6242023 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107324333-B | A kind of monoblock type adsorbent material, preparation method and the method for reducing diisocyanate chromatic number using it | 万华化学集团股份有限公司 | 2019-09-03 | — | — | CN | disclosed |
| CN-107531899-A | Reaction products of amine monomers with polymers containing saturated heterocyclic moieties as plating bath additives | 罗门哈斯电子材料有限责任公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-107324333-A | A kind of monoblock type sorbing material, preparation method and the method using its reduction diisocyanate chromatic number | 万华化学集团股份有限公司 | 2017-11-07 | — | — | CN | disclosed |