⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13079463 | 1.00 | — | — | |
| SCHEMBL133093 | 1.00 | — | — | |
| Benzene SCHEMBL27834630 | 0.92 | TSHR (0.48) | — | |
| SCHEMBL989252 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL11322788 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL638379 | 0.79 | — | — | |
| SCHEMBL4817611 | 0.79 | — | — | |
| SCHEMBL10526 | 0.79 | — | — | |
| SCHEMBL16326320 | 0.79 | — | — | |
| SCHEMBL1967660 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110294972-A | A kind of ink | 深圳TCL工业研究院有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-106164076-B | Compound as ROS1 inhibitor | 詹森药业有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-107129440-B | A kind of total synthesis method of natural products (+)-negamycin | 上海应用技术大学 | 2018-12-04 | — | — | CN | disclosed |
| CN-106164076-A | As be replaced the 4 of ROS1 inhibitor, 5,6,7 tetrahydro-pyrazoles also [1,5 a] pyrazines derivatives and 5,6,7,8 tetrahydrochysene 4H pyrazolo [1,5 a] [Isosorbide-5-Nitrae] diazacyclo heptantriene derivants | 詹森药业有限公司 | 2016-11-23 | — | — | CN | disclosed |