⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27489533 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL27322907 | 0.84 | — | — | |
| SCHEMBL28205756 | 0.82 | KCNN4 (0.36) | — | |
| SCHEMBL27464646 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL27446527 | 0.81 | — | — | |
| SCHEMBL971620 | 0.80 | — | — | |
| SCHEMBL2574861 | 0.79 | ESR1 (0.44) | — | |
| SCHEMBL28149485 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL11024100 | 0.77 | KIF11 (0.38) | — | |
| SCHEMBL4689119 | 0.75 | MEN1 (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104334588-B | Neutral layer polymer compositions for directed self-assembly and methods thereof | AZ电子材料卢森堡有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-1122033-C | Triazolopurine derivatives, pharmaceutical compositions containing the same | OTSUKE PHARMACEUTICAL FACTORY (JP) | 2003-09-24 | — | — | CN | disclosed |
| CN-1321094-A | Bone repair materials/artificial bone compositions | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-11-07 | — | — | CN | disclosed |
| CN-1301266-A | Triazolopurine derivatives, pharmaceutical composition containing the same, adenosine A3 receptor affinity agent, and asthma therapeutic agent | OTSUKA PHARMACEUITCAL FACTORY (JP) | 2001-06-27 | — | — | CN | disclosed |
| US-5922866-A | REACTING A TRIALKYLSILYL HALIDE WITH A 1,2-AMIDE SUBSTITUTED BENZENE DERIVATIVE IN THE PRESENCE OF A BASE; USE AS PHARMACEUTICALS OR INTERMEDIATES FOR SYNTHESIS THEREOF, SUCH AS ANTIDIABETIC DRUGS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1999-07-13 | — | — | US | disclosed |
| CN-1187122-A | Osteogenetic promoting pharmaceutial composition | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-07-08 | — | — | CN | disclosed |