⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18436905 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL177556 | 0.83 | — | — | |
| SCHEMBL216689 | 0.83 | ALDH1A1 (0.43) | — | |
| Bromide SCHEMBL27481095 | 0.79 | — | — | |
| Methane SCHEMBL28272512 | 0.79 | — | — | |
| SCHEMBL6862722 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL7635615 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1953396 | 0.76 | — | — | |
| Bicarbonate SCHEMBL9715828 | 0.75 | — | — | |
| SCHEMBL3626428 | 0.75 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116174051-B | Alpha, beta-unsaturated aldehyde or ketone hydrogenation method | 中国科学院大连化学物理研究所 | 2024-12-31 | — | — | CN | disclosed |
| CN-116178609-B | Phosphine oxide porous organic polymer and application thereof | 中国科学院大连化学物理研究所 | 2024-12-06 | — | — | CN | disclosed |
| CN-116178609-A | Phosphine oxide porous organic polymer and application thereof | 中国科学院大连化学物理研究所 | 2023-05-30 | — | — | CN | disclosed |
| CN-116174051-A | Alpha, beta-unsaturated aldehyde or ketone hydrogenation method | 中国科学院大连化学物理研究所 | 2023-05-30 | — | — | CN | disclosed |
| EP-2295520-A2 | Liquid crystalline medium | Merck Patent GmbH (DE) | 2011-03-16 | — | — | EP | disclosed |
| WO-2007079949-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2007-07-19 | — | — | WO | disclosed |
| US-4175017-A | COORDINATION CATALYSTS, ALUMINUM AND VANADIUM COMPOUNDS | EXXON RESEARCH & ENGINEERING CO. (US) | 1979-11-20 | — | — | US | disclosed |
| US-4121032-A | Process for preparing alternating copolymer of conjugated vinyl compound and olefinic unsaturated compound with oxygen and boron compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1978-10-17 | — | — | US | disclosed |
| US-4107418-A | OF AN ACRYLIC MONOMER AND ANOTHER UNSATURATED MONOMER; CATALYST COMPRISING AN ORGANOALUMINUM HALIDE AND ORGANIC PEROXIDE | MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) | 1978-08-15 | — | — | US | disclosed |
| US-4051312-A | SULFUR VULCANIZABLE INTERPOLYMERS | EXXON RESEARCH & ENGINEERING CO. (US) | 1977-09-27 | — | — | US | disclosed |
| US-3989882-A | Process for preparing an alternating copolymer of a conjugated vinyl compound and an olefinic unsaturated compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-11-02 | — | — | US | disclosed |
| US-3959225-A | Thermally-staged polymer process | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1976-05-25 | — | — | US | disclosed |