⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL27495689 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1510153 | 0.91 | — | — | |
| Butanone SCHEMBL1310 | 0.91 | — | — | |
| Butanone SCHEMBL1039820 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL8379087 | 0.91 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL20558041 | 0.87 | — | — | |
| Butanone SCHEMBL21631022 | 0.87 | — | — | |
| Butanone SCHEMBL17255798 | 0.87 | — | — | |
| Butanone SCHEMBL20557981 | 0.87 | — | — | |
| Butanone SCHEMBL22405658 | 0.87 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110034285-A | Negative electrode battery material and its manufacturing method, secondary battery cathode and secondary cell | 株式会社吴羽 | 2019-07-19 | — | — | CN | disclosed |
| CN-104177212-A | Isobutane preparation system and method thereof | SINOPEC ENGINEERING INC | 2014-12-03 | — | — | CN | disclosed |
| CN-104177213-A | Isobutane preparation system and method thereof | SINOPEC ENGINEERING INC | 2014-12-03 | — | — | CN | disclosed |
| CN-104030876-A | System and method for preparation of isobutane through combined extractive distillation and hydrogenation | SINOPEC ENGINEERING INC | 2014-09-10 | — | — | CN | disclosed |
| CN-202717727-U | Methyl ethyl ketone device leaking proof system when lean solvent in butene concentration unit returns extraction tower | DAQING ZHONGLAN PETROCHEMICAL CO LTD | 2013-02-06 | — | — | CN | disclosed |
| CN-202185178-U | Regenerative heat supply system for methyl ethyl ketone butane extractant | DAQING ZHONGLAN PETROCHEMICAL CO LTD | 2012-04-11 | — | — | CN | disclosed |
| CN-202185178-U | Regenerative heat supply system for methyl ethyl ketone butane extractant | DAQING ZHONGLAN PETROCHEMICAL CO LTD | 2012-04-11 | — | — | CN | disclosed |
| WO-1990000536-A1 | PROCESS FOR OBTAINING SUBSTANTIALLY ALDEHYDE-FREE KETONE PRODUCTS | CATALYTICA, INC. (US) | 1990-01-25 | — | — | WO | disclosed |
| EP-0351190-A2 | Process for obtaining substantially aldehyde-free ketone products | CATALYTICA INC. (US) | 1990-01-17 | — | — | EP | disclosed |
| US-4885399-A | ESTERIFICATION WITH TISCHTSCHENKO METAL ALKOXIDE CATALYST; SEPARATION | CATALYTICA, INC. (US) | 1989-12-05 | — | — | US | disclosed |