⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3328301 | 1.00 | TDP1 (0.89) | — | |
| Bromide SCHEMBL6924630 | 0.95 | TDP1 (0.80) | — | |
| Lithium SCHEMBL9301207 | 0.95 | TDP1 (0.80) | — | |
| SCHEMBL27928984 | 0.94 | TDP1 (1.00) | — | |
| SCHEMBL1332279 | 0.94 | — | — | |
| SCHEMBL2020 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL23748751 | 0.91 | TDP1 (0.73) | — | |
| Hydrochloric Acid SCHEMBL28849153 | 0.91 | TDP1 (0.73) | — | |
| Hydrochloric Acid SCHEMBL28377416 | 0.91 | TDP1 (0.73) | — | |
| SCHEMBL4800423 | 0.89 | — | — |
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-1047774-C | Prepn of azadiphenyl cycloheptyl ketenes | HUALIAN PHARMACEUTICAL CO SHAN (CN) | 1999-12-29 | — | — | CN | claimed |
| CN-109687027-A | A kind of rechargeable magnesium cell electrolyte and rechargeable magnesium cell | 上海交通大学 | 2019-04-26 | — | — | CN | disclosed |
| CN-107847921-A | Hydrosilylation reaction catalyst | 国立大学法人九州大学 | 2018-03-27 | — | — | CN | disclosed |
| CN-101589055-A | Process for the preparation of (Rp) -8-substituted cAMPS | LAURAS AS (NO) | 2009-11-25 | — | — | CN | disclosed |
| WO-2001029003-A1 | PROCESS FOR THE PREPARATION OF 1-(6-METHYLPYRIDIN-3-YL)-2-(4-METHYLTHIOPHENYL)-ETHANONE AND ITS USE IN THE SYNTHESIS OF DIARYLPYRIDINES | ZAMBON GROUP S.P.A. (IT) | 2001-04-26 | — | — | WO | disclosed |
| CN-1037177-C | Noel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them | AMERICAN CYANAMID CO (US) | 1998-01-28 | — | — | CN | disclosed |
| CN-1034332-C | Process for preparing 2-substituted alkyl-3-carboxy carbapenems as antibiotics | AMERICAN CYANAMID CO (US) | 1997-03-26 | — | — | CN | disclosed |
| CN-1034329-C | Novel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them | AMERICAN CYANAMID CO (US) | 1997-03-26 | — | — | CN | disclosed |