Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| SCHEMBL24897558 | 0.82 | — | — | |
| SCHEMBL8941934 | 0.72 | — | — | |
| SCHEMBL22699506 | 0.72 | — | — | |
| SCHEMBL20544104 | 0.68 | — | — | |
| SCHEMBL24897557 | 0.66 | — | — | |
| Ethylamine SCHEMBL6138422 | 0.62 | — | — | |
| Propane SCHEMBL27436764 | 0.61 | — | — | |
| SCHEMBL8941973 | 0.61 | CA2 (0.30) | — | |
| SCHEMBL24897560 | 0.59 | — | — | |
| SCHEMBL1043227 | 0.59 | CA2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-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-2011000536-A1 | METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2011-01-06 | — | — | WO | disclosed |