⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17219684 | 0.84 | — | — | |
| Isobutyraldehyde SCHEMBL17502985 | 0.83 | — | — | |
| SCHEMBL229715 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL19621 | 0.82 | — | — | |
| Formic Acid SCHEMBL27793477 | 0.81 | — | — | |
| Formic Acid SCHEMBL2161491 | 0.80 | — | — | |
| SCHEMBL28136491 | 0.79 | TDP1 (0.35) | — | |
| SCHEMBL18229469 | 0.79 | MEN1 (0.32) | — | |
| Isobutyraldehyde SCHEMBL28728537 | 0.79 | AKR1B1 (0.33) | — | |
| Formaldehyde SCHEMBL27769283 | 0.79 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372476-B | Rectification process of 2, 2-dimethyl-1, 3-propylene glycol | 北京合宜集通科技有限公司 | 2021-03-23 | — | — | CN | disclosed |
| WO-2021022831-A1 | RECTIFICATION PROCESS OF 2,2-DIMETHYL-1,3-PROPANEDIOL | 北京合宜集通科技有限公司 | 2021-02-11 | — | — | WO | disclosed |
| CN-109180428-B | Production process of 2, 2-dimethyl-1, 3-propylene glycol | 吉林市道特化工科技有限责任公司 | 2020-06-05 | — | — | CN | disclosed |
| WO-2020029753-A1 | PRODUCTION PROCESS OF 2,2-DIMETHYL-1,3-PROPANEDIOL | 吉林市道特化工科技有限责任公司 | 2020-02-13 | — | — | WO | disclosed |
| CN-110372476-A | A kind of 2,2- dimethyl -1,3- propylene glycol rectification process | 北京合宜集通科技有限公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-110372496-A | A kind of method of electrodialysis purification neopentyl glycol sodium formate mixed liquor | 河南师范大学 | 2019-10-25 | — | — | CN | disclosed |
| CN-110092886-A | The applicable moisture reaction type polyurethane resin and preparation method thereof of low temperature environment | 高鼎精细化工(昆山)有限公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-109180428-A | A kind of production technology of 2,2- dimethyl -1,3- propylene glycol | 吉林市道特化工科技有限责任公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-107987775-A | A kind of monocomponent moisture cure urethanes adhesive and preparation method thereof | 重庆中科力泰高分子材料股份有限公司 | 2018-05-04 | — | — | CN | disclosed |
| US-6048441-A | Isolation of neopentyl glycol hydroxypivalate (NGH) | BASF AKTIENGESELLSCHAFT (DE) | 2000-04-11 | — | — | US | disclosed |
| EP-0522368-B2 | Manufacture of neopentyl glycol (IV) | ARISTECH CHEMICAL CORP (US) | 2000-03-15 | — | — | EP | disclosed |
| EP-0522367-B1 | Manufacture of neopentyl glycol (III) | ARISTECH CHEMICAL CORP (US) | 1996-09-25 | — | — | EP | disclosed |
| US-5532417-A | FROM HYDROGENATION OF REACTION PRODUCT OF ISOBUTYRALDEHYDE AND FORMALDEHYDE IN PRESENCE OF CATALYST AND LOWER ALCOHOL | ARISTECH CHEMICAL CORPORATION (US) | 1996-07-02 | — | — | US | disclosed |
| EP-0522367-A1 | Manufacture of neopentyl glycol (III) | Aristech Chemical Corporation (US) | 1993-01-13 | — | — | EP | disclosed |
| EP-0522368-A1 | Manufacture of neopentyl glycol (IV) | Aristech Chemical Corporation (US) | 1993-01-13 | — | — | EP | disclosed |
| US-5146012-A | From isobutraldehyde and paraformaldehyde, mixed with an alcohol by catalytic hydrogenation | ARISTECH CHEMICAL CORPORATION (US) | 1992-09-08 | — | — | US | disclosed |