⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3422022 | 0.81 | — | — | |
| SCHEMBL77663 | 0.78 | — | — | |
| SCHEMBL7528737 | 0.78 | — | — | |
| SCHEMBL15782183 | 0.76 | — | — | |
| SCHEMBL4202345 | 0.74 | THRB (0.67) | — | |
| Diiodohydroxypropane SCHEMBL2279164 | 0.73 | — | — | |
| SCHEMBL7804028 | 0.73 | — | — | |
| Methyl Alcohol SCHEMBL10679598 | 0.72 | THRB (0.62) | — | |
| SCHEMBL9614260 | 0.72 | — | — | |
| SCHEMBL29798 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112473396-B | Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof | 西安建筑科技大学 | 2022-06-24 | — | — | CN | claimed |
| CN-112473396-A | Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof | 西安建筑科技大学 | 2021-03-12 | — | — | CN | claimed |
| CN-112194787-B | Preparation method and application of degradable copolymer with near-infrared two-region photoresponse | 中国科学院化学研究所 | 2021-11-16 | — | — | CN | disclosed |
| CN-110183636-B | Copolymer carrier and preparation method and application thereof | 中国科学院化学研究所 | 2021-03-19 | — | — | CN | disclosed |
| CN-112194787-A | Preparation method and application of degradable copolymer with near-infrared two-region photoresponse | 中国科学院化学研究所 | 2021-01-08 | — | — | CN | disclosed |
| WO-2014139080-A1 | NOVEL PROCESS FOR THE MANUFACTURE OF 3-OXO-TETRAHYDROFURAN | BOEHRINGER INGELHEIM INTERNATIONAL TRADING (SHANGHAI) CO., LTD. (CN) | 2014-09-18 | — | — | WO | disclosed |
| US-20100130712-A1 | ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT | IDEMITSU KOSAN CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |
| CN-101652394-A | Adamantane derivative, resin composition using same, and cured resin product | IDEMITSU KOSAN CO JP | 2010-02-17 | — | — | CN | disclosed |