⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28231208 | 0.95 | TSHR (0.64) | — | |
| 1,6-Hexanediol SCHEMBL9487678 | 0.95 | TSHR (0.64) | — | |
| 1,5-Pentanediol SCHEMBL7561523 | 0.95 | TSHR (0.64) | — | |
| 1,6-Hexanediol SCHEMBL5505002 | 0.91 | TSHR (0.60) | — | |
| 1,3-Propanediol SCHEMBL10605693 | 0.89 | — | — | |
| 1,4-Butanediol SCHEMBL6708433 | 0.89 | — | — | |
| 1,3-Propanediol SCHEMBL17164788 | 0.89 | — | — | |
| 1,4-Butanediol SCHEMBL324322 | 0.88 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL18642509 | 0.88 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL18642519 | 0.88 | SMN1; SMN2 (0.58) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108291194-A | The production method of recombinant cell, the manufacturing method of recombinant cell and 1,4- butanediols | 积水化学工业株式会社 | 2018-07-17 | — | — | CN | claimed |
| CN-104039869-B | Crosslinkable composition containing latent base catalyst and latent base catalyst composition | NUPLEX RESINS B.V. (NL) | 2016-04-27 | — | — | CN | disclosed |
| CN-104039869-A | Crosslinkable composition containing latent base catalyst and latent base catalyst composition | NUPLEX RESINS BV | 2014-09-10 | — | — | CN | disclosed |
| CN-103207253-A | Method for determining polyol in tobacco additive | HONGYUN HONGHE TOBACCO GROUP | 2013-07-17 | — | — | CN | disclosed |
| EP-0206143-B1 | PROCESS FOR THE PREPARATION OF 4-PENTENOIC-ACID ESTERS | BASF Aktiengesellschaft (DE) | 1988-08-31 | — | — | EP | disclosed |
| EP-0206143-A1 | Process for the preparation of 4-pentenoic-acid esters | BASF Aktiengesellschaft (DE) | 1986-12-30 | — | — | EP | disclosed |