⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10626556 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL216731 | 0.79 | — | — | |
| SCHEMBL18705898 | 0.77 | — | — | |
| SCHEMBL29228990 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL258549 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL156993 | 0.74 | PNMT (0.39) | — | |
| SCHEMBL6282544 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL2405733 | 0.74 | GABRA1 (0.33) | — | |
| SCHEMBL5178854 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL8478011 | 0.74 | TDP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190071416-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-03-07 | — | — | US | claimed |
| EP-3371151-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | Agency For Science, Technology And Research (SG) | 2018-09-12 | — | — | EP | claimed |
| WO-2017061957-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-04-13 | — | — | WO | claimed |
| US-20190071416-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-03-07 | — | — | US | disclosed |
| EP-3371151-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | Agency For Science, Technology And Research (SG) | 2018-09-12 | — | — | EP | disclosed |
| WO-2017061957-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-04-13 | — | — | WO | disclosed |
| CN-102162002-B | Method for synthesizing cyclohexanone derivatives by virtue of acylase-catalyzed multistep series connection | UNIV ZHEJIANG | 2013-08-28 | — | — | CN | disclosed |
| CN-102162002-A | Method for synthesizing cyclohexanone derivatives by virtue of acylase-catalyzed multistep series connection | UNIV ZHEJIANG | 2011-08-24 | — | — | CN | disclosed |