⚠ 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 | |
|---|---|---|---|---|
| Dimethylformamide SCHEMBL11029951 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL28249972 | 0.91 | TSHR (0.82) | — | |
| Dimethylformamide SCHEMBL2280000 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL10141201 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL1927321 | 0.91 | TSHR (1.00) | — | |
| Dimethylformamide SCHEMBL5 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL1332179 | 0.91 | — | — | |
| Dimethylformamide SCHEMBL11046253 | 0.87 | TSHR (0.75) | — | |
| Dimethylformamide SCHEMBL21436169 | 0.86 | — | — | |
| Dimethylformamide SCHEMBL10597209 | 0.86 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102731792-B | Preparation method of chitosan grafted polymer with thermosensitivity | UNIV ZHEJIANG | 2013-10-30 | — | — | CN | disclosed |
| CN-1213029-C | Process for the preparation of (3-cyano-1H-indol-7-yl) (4-(4-fluorophenethyl)piperazin-1-yl)-methanone and salts thereof | MERCH PATENT GMBH (DE) | 2005-08-03 | — | — | CN | disclosed |
| CN-1487923-A | Process for the preparation of (3-cyano-1H-indol-7-yl) (4- (4-fluorophenethyl) piperazin-1-yl) -methanone and salts thereof | Ĭ��ר���ɷ�����˾ | 2004-04-07 | — | — | CN | disclosed |
| US-5969150-A | FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES | THE ROCKEFELLER UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |
| CN-86102389-A | The preparation and the application thereof of the aralkyl compound that the azoles base replaces | — | 1987-01-21 | — | — | CN | disclosed |