⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10600029 | 0.80 | — | — | |
| SCHEMBL27788612 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL5822190 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL3150633 | 0.77 | — | — | |
| SCHEMBL2879079 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL11316033 | 0.74 | — | — | |
| SCHEMBL19452721 | 0.74 | ALDH1A1 (0.45) | — | |
| SCHEMBL16236 | 0.74 | ALDH1A1 (0.45) | — | |
| SCHEMBL3818112 | 0.74 | TSHR (0.43) | — | |
| Water SCHEMBL11056984 | 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452657-A | A kind of no-solvent polyurethane composite adhesive | INSTITUTE OF NEW MATERIAL AND INDUSTRY TECHNOLOGY WENZHOU UNIV | 2019-11-15 | — | — | CN | claimed |
| US-20150065751-A1 | Preparation of 4-Amino-2,4-Dioxobutanoic Acid | NEW MEXICO HIGHLANDS UNIVERSITY (US) | 2015-03-05 | — | — | US | claimed |
| JP-5194381-A | — | — | None | — | — | JP | disclosed |
| CN-107501275-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-107501274-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-110452657-A | A kind of no-solvent polyurethane composite adhesive | INSTITUTE OF NEW MATERIAL AND INDUSTRY TECHNOLOGY WENZHOU UNIV | 2019-11-15 | — | — | CN | disclosed |
| CN-110452657-A | A kind of no-solvent polyurethane composite adhesive | INSTITUTE OF NEW MATERIAL AND INDUSTRY TECHNOLOGY WENZHOU UNIV | 2019-11-15 | — | — | CN | disclosed |
| CN-107629059-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107501275-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107501274-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-206620931-U | Outer bottom and article of footwear for article of footwear | 耐克创新股份公司 | 2017-11-10 | — | — | CN | disclosed |
| US-20020103185-A1 | Pyrazole derivatives | PFIZER PRODUCTS INC. | 2002-08-01 | — | — | US | disclosed |
| WO-2002018346-A1 | PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS | PFIZER PRODUCTS INC. (US) | 2002-03-07 | — | — | WO | disclosed |
| WO-2002016143-A1 | INK-JET RECEPTOR SHEET CONTAINING NITRILE POLYMER | AVECIA LIMITED (GB) | 2002-02-28 | — | — | WO | disclosed |
| US-5633373-A | Enantioselective synthesis of antifolates | ELI LILLY AND COMPANY (US) | 1997-05-27 | — | — | US | disclosed |
| EP-0407212-B1 | Enantioselective synthesis of antifolates | LILLY CO ELI (US) | 1996-05-22 | — | — | EP | disclosed |
| US-5516776-A | Enantioselective synthesis of antifolates | ELI LILLY AND COMPANY (US) | 1996-05-14 | — | — | US | disclosed |
| JP-H05194381-A | FUNGICIDAL 3-(2-CHLORO-3-TRIFLUOROMETHYL PHENYL)-4-CYANOPYRROLE | BAYER AG | 1993-08-03 | — | — | JP | disclosed |
| US-5159090-A | Enantioselective synthesis of antifolates | ELI LILLY AND COMPANY (US) | 1992-10-27 | — | — | US | disclosed |
| US-5008391-A | Enantioselective synthesis of antifolates | ELI LILLY AND COMPANY (US) | 1991-04-16 | — | — | US | disclosed |