⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8683 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28876230 | 0.89 | — | — | |
| SCHEMBL28514768 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL28078726 | 0.89 | — | — | |
| SCHEMBL27647884 | 0.89 | — | — | |
| Benzene SCHEMBL27913534 | 0.80 | TSHR (0.36) | — | |
| Ethylene Glycol SCHEMBL28018692 | 0.78 | — | — | |
| SCHEMBL27860419 | 0.77 | — | — | |
| SCHEMBL19712823 | 0.76 | — | — | |
| SCHEMBL27318925 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109852227-A | A kind of UV cure wood coatings | 安徽开林新材料股份有限公司 | 2019-06-07 | — | — | CN | claimed |
| CN-115109036-A | Quinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-112382792-A | Fluoroether-containing electrolyte cosolvent for lithium metal/lithium ion/lithium sulfur battery, electrolyte and lithium secondary battery | 华南理工大学 | 2021-02-19 | — | — | CN | disclosed |
| CN-109722138-A | A kind of flame-proof antibiotic ultraviolet-curing paint | 安徽开林新材料股份有限公司 | 2019-05-07 | — | — | CN | disclosed |
| CN-100579962-C | Arylpyrrole compound with insecticidal, acaricidal and fungicidal biological activity and preparation method thereof | HUNAN RES INST CHEMICAL IND | 2010-01-13 | — | — | CN | disclosed |
| CN-1670016-A | Arylpyrrole compound with insecticidal, acaricidal and fungicidal biological activity and preparation method thereof | HUNAN RES INST OF CHEMICAL IND (CN) | 2005-09-21 | — | — | CN | disclosed |