⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6881200 | 0.83 | — | — | |
| SCHEMBL17835226 | 0.74 | — | — | |
| SCHEMBL17835229 | 0.74 | — | — | |
| SCHEMBL14272175 | 0.74 | — | — | |
| SCHEMBL5907203 | 0.72 | APLNR (0.30) | — | |
| SCHEMBL18178023 | 0.72 | — | — | |
| SCHEMBL11364243 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL9941609 | 0.71 | ESR1 (0.38) | — | |
| SCHEMBL3079816 | 0.71 | ESR1 (0.38) | — | |
| SCHEMBL15382208 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9017931-B2 | Patterning process and resist composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-04-28 | — | — | US | disclosed |
| US-9017931-B2 | Patterning process and resist composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-04-28 | — | — | US | disclosed |
| EP-2448896-B1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | MERZ PHARMA GMBH & CO KGAA (DE) | 2014-03-12 | — | — | EP | disclosed |
| US-20140051026-A1 | PATTERNING PROCESS AND RESIST COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-02-20 | — | — | US | disclosed |
| US-20140051026-A1 | PATTERNING PROCESS AND RESIST COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-02-20 | — | — | US | disclosed |
| US-20120123166-A1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-05-17 | — | — | US | disclosed |
| EP-2448896-A1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | Merz Pharma GmbH & Co. KGaA (DE) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011000537-A1 | METHOD OF PREPARING 1-CHLOROACETAMIDO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2011-01-06 | — | — | WO | disclosed |
| WO-2011000536-A1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2011-01-06 | — | — | WO | disclosed |