⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3918232 | 0.97 | TP53 (0.48) | — | |
| SCHEMBL1575804 | 0.73 | CALM1 (0.53) | — | |
| Bromide SCHEMBL25375048 | 0.71 | CALM1 (0.50) | — | |
| SCHEMBL10422011 | 0.69 | — | — | |
| SCHEMBL8477190 | 0.69 | — | — | |
| SCHEMBL17596168 | 0.69 | — | — | |
| SCHEMBL1128038 | 0.69 | TP53 (0.50) | — | |
| SCHEMBL29892302 | 0.69 | — | — | |
| Ethylbenzene SCHEMBL11223212 | 0.67 | TP53 (1.00) | — | |
| Ethane SCHEMBL21049496 | 0.67 | ALDH1A1 (0.61) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109422828-A | For olefinic polymerization catalyst system and prepare the catalyst system and method and low molecular weight polyethylene of low molecular weight polyethylene | 中国石油化工股份有限公司 | 2019-03-05 | — | — | CN | disclosed |
| CN-109422830-A | Prepare catalyst system and the low-molecular-weight polypropylene and preparation method thereof of low-molecular-weight polypropylene | 中国石油化工股份有限公司 | 2019-03-05 | — | — | CN | disclosed |
| US-20100035863-A1 | 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions | UCB PHARMA, S.A. (BE) | 2010-02-11 | — | — | US | disclosed |