⚠ 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 | |
|---|---|---|---|---|
| 2-Thiophenecarboxaldehyde Oxime SCHEMBL3964412 | 1.00 | — | — | |
| 2-Thiophenecarboxaldehyde Oxime SCHEMBL2160985 | 1.00 | — | — | |
| 2-Thiophenecarboxaldehyde Oxime SCHEMBL29417484 | 0.98 | — | — | |
| 2-Thiophenecarboxaldehyde Oxime SCHEMBL27987220 | 0.90 | SMN1; SMN2 (0.55) | — | |
| SCHEMBL1256043 | 0.80 | SMN1; SMN2 (1.00) | — | |
| SCHEMBL6261321 | 0.76 | — | — | |
| SCHEMBL3656290 | 0.76 | — | — | |
| SCHEMBL9653560 | 0.76 | — | — | |
| SCHEMBL8946058 | 0.76 | — | — | |
| SCHEMBL8946056 | 0.76 | — | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113087722-B | Tricyclic isoxazole compound and preparation method and application thereof | 中国人民解放军海军军医大学 | 2023-04-28 | — | — | CN | disclosed |
| CN-113388600-B | Aldoxime dehydratase and application thereof in catalytic synthesis of aromatic nitrile compounds | 杭州师范大学 | 2022-05-27 | — | — | CN | disclosed |
| CN-113388600-A | Aldoxime dehydratase and application thereof in catalytic synthesis of aromatic nitrile compounds | 杭州师范大学 | 2021-09-14 | — | — | CN | disclosed |
| CN-103864754-B | Five-membered azole heterocycle compound and preparation method thereof, pharmaceutical composition and purposes | 中国科学院上海药物研究所 | 2016-12-21 | — | — | CN | disclosed |
| CN-103864754-A | Five-membered azole heterocycle compound, preparation method, drug composition and use thereof | SHANGHAI INST MATERIA MEDICA | 2014-06-18 | — | — | CN | disclosed |
| US-8440706-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-14 | — | — | US | disclosed |
| US-8372873-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-12 | — | — | US | disclosed |
| US-20110182856-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-28 | — | — | US | disclosed |
| US-7985762-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-26 | — | — | US | disclosed |
| US-20110165120-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-07 | — | — | US | disclosed |
| US-5602160-A | MUSCLE RELAXANT | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1997-02-11 | — | — | US | disclosed |
| US-5498619-A | MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-03-12 | — | — | US | disclosed |
| EP-0414391-B1 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5338857-A | Muscle relaxant | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1994-08-16 | — | — | US | disclosed |
| EP-0588785-A1 | UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1994-03-30 | — | — | EP | disclosed |
| US-5185363-A | Administering for treatment of inflammatory diseases | ABBOTT LABORATORIES (US) | 1993-02-09 | — | — | US | disclosed |
| EP-0588785-A4 | UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. | ABBOTT LAB (US) | 1991-12-30 | — | — | EP | disclosed |
| US-5006515-A | Immunology disorders, antitumor agent | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-04-09 | — | — | US | disclosed |
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |
| WO-1990012008-A1 | UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1990-10-18 | — | — | WO | disclosed |