⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30096757 | 1.00 | — | — | |
| SCHEMBL22062343 | 0.81 | NAPRT (0.43) | — | |
| SCHEMBL9038419 | 0.77 | ADRA2A (0.38) | — | |
| SCHEMBL5644357 | 0.74 | — | — | |
| SCHEMBL10833630 | 0.74 | L3MBTL1 (0.47) | — | |
| SCHEMBL21064020 | 0.74 | L3MBTL1 (0.43) | — | |
| SCHEMBL22062344 | 0.74 | CCR1 (0.40) | — | |
| SCHEMBL9039754 | 0.74 | PDE5A (0.47) | — | |
| SCHEMBL924067 | 0.73 | — | — | |
| SCHEMBL1804164 | 0.73 | — | — |
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-117615652-A | (1, 4, 5-trisubstituted-1H-pyrazol-3-yl) oxy-2-alkoxyalkyl acids and derivatives thereof, salts thereof and use thereof as herbicides | 拜耳公司 | 2024-02-27 | — | — | CN | disclosed |
| WO-2016184652-A9 | METHODS FOR PRODUCING METALATED ORGANIC COMPOUNDS | LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) | 2017-08-10 | — | — | WO | disclosed |
| WO-2016184652-A1 | METHODS FOR PRODUCING METALATED ORGANIC COMPOUNDS | LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) | 2016-11-24 | — | — | WO | disclosed |
| US-6552018-B1 | As antitumor agents | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-22 | — | — | US | disclosed |
| US-6169086-B1 | AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-1022270-A1 | PYRAZOLE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2000-07-26 | — | — | EP | disclosed |