⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10712673 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL31634366 | 0.78 | ALDH1A1 (0.33) | — | |
| Chloromethane SCHEMBL27754033 | 0.77 | — | — | |
| Benzene SCHEMBL10830313 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL270702 | 0.73 | — | — | |
| SCHEMBL10715046 | 0.72 | KMT2A (0.50) | — | |
| SCHEMBL1649559 | 0.71 | — | — | |
| SCHEMBL1853515 | 0.71 | KMT2A (0.54) | — | |
| SCHEMBL8617381 | 0.71 | — | — | |
| SCHEMBL641437 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103977834-B | The preparation method of the catalyst that ethyl alcohol carbonylation is propionic acid synthesized and application | JIANGSU SOPO (GROUP) CO.,LTD. (CN) | 2016-01-27 | — | — | CN | disclosed |
| CN-103977834-A | Preparation method of catalyst used in synthesizing of propionic acid by carbonylating ethyl alcohol and application of catalyst | JIANGSU SOPO GROUP CO LTD | 2014-08-13 | — | — | CN | disclosed |
| US-4349666-A | Process for the production of kanomycin B derivatives and products obtained therefrom | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1982-09-14 | — | — | US | disclosed |
| US-4292314-A | Cardioactive 12-dehydrodigoxin-oximes | BOEHRINGER MANNHEIM GMBH (DE) | 1981-09-29 | — | — | US | disclosed |