⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27811929 | 0.98 | — | — | |
| SCHEMBL27884176 | 0.77 | — | — | |
| SCHEMBL11214538 | 0.76 | — | — | |
| SCHEMBL31716197 | 0.73 | CUL4A (0.35) | — | |
| SCHEMBL3591738 | 0.73 | — | — | |
| SCHEMBL9848448 | 0.73 | — | — | |
| SCHEMBL11157039 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31174160 | 0.68 | — | — | |
| SCHEMBL9434282 | 0.65 | — | — | |
| SCHEMBL1413238 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974796-A | Woxine medicinal molecule and preparation method thereof | 上海交通大学 | 2023-04-18 | — | — | CN | claimed |
| CN-101830831-B | Method for preparing ortho-diazanyl benzonitrile | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2013-06-12 | — | — | CN | claimed |
| CN-101830831-A | Method for preparing ortho-diazanyl benzonitrile | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2010-09-15 | — | — | CN | claimed |
| CN-101830831-B | Method for preparing ortho-diazanyl benzonitrile | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2013-06-12 | — | — | CN | disclosed |
| CN-101830831-B | Method for preparing ortho-diazanyl benzonitrile | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2013-06-12 | — | — | CN | disclosed |
| CN-101830831-B | Method for preparing ortho-diazanyl benzonitrile | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2013-06-12 | — | — | CN | disclosed |
| CN-101830831-A | Method for preparing ortho-diazanyl benzonitrile | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2010-09-15 | — | — | CN | disclosed |
| CN-101830831-A | Method for preparing ortho-diazanyl benzonitrile | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2010-09-15 | — | — | CN | disclosed |
| CN-101830831-A | Method for preparing ortho-diazanyl benzonitrile | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2010-09-15 | — | — | CN | disclosed |
| US-4064136-A | FROM A NITRILE, AN ALCOHOL AND ORTHO-SUBSTITUTED AROMATIC AMINE | CIBA-GEIGY AG (CH) | 1977-12-20 | — | — | US | disclosed |