⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1330593 | 0.88 | — | — | |
| Methacrylic Acid SCHEMBL18911579 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL9614635 | 0.74 | — | — | |
| SCHEMBL17658972 | 0.72 | — | — | |
| SCHEMBL9642204 | 0.72 | — | — | |
| SCHEMBL12432844 | 0.70 | — | — | |
| Methacrylic Acid SCHEMBL10699451 | 0.70 | — | — | |
| SCHEMBL1849 | 0.69 | — | — | |
| SCHEMBL10636466 | 0.69 | — | — | |
| SCHEMBL4390490 | 0.69 | ALDH1A1 (1.00) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0144712-B1 | OPTICAL FIBER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-03-30 | — | — | EP | claimed |
| JP-61020909-A | — | — | None | — | — | JP | disclosed |
| JP-58154803-A | — | — | None | — | — | JP | disclosed |
| CN-111440840-B | Method for analyzing drug resistance of tumor cells | 上海交通大学 | 2024-04-26 | — | — | CN | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |
| JP-2004010593-A | METHOD FOR PRODUCING DEUTERATED ACETONE CYANOHYDRIN AND METHOD FOR PRODUCING DEUTERATED METHYL METHACRYLATE | MITSUBISHI GAS CHEM CO INC | 2004-01-15 | — | — | JP | disclosed |
| JP-S6120909-A | PLASTIC OPTICAL FIBER | NIPPON TELEGR & TELEPH CORP <NTT> | 1986-01-29 | — | — | JP | disclosed |
| JP-S58154803-A | PLASTIC OPTICAL FIBER | NIPPON TELEGR & TELEPH CORP <NTT> | 1983-09-14 | — | — | JP | disclosed |