⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12385872 | 1.00 | — | — | |
| SCHEMBL24906959 | 0.86 | — | — | |
| SCHEMBL8433403 | 0.82 | — | — | |
| SCHEMBL131878 | 0.82 | — | — | |
| SCHEMBL10107071 | 0.82 | JAK2 (0.31) | — | |
| SCHEMBL17253449 | 0.82 | JAK2 (0.31) | — | |
| SCHEMBL17252249 | 0.82 | JAK2 (0.31) | — | |
| SCHEMBL18889361 | 0.81 | SLC1A3 (0.34) | — | |
| SCHEMBL20021701 | 0.81 | SLC1A3 (0.34) | — | |
| SCHEMBL20105229 | 0.81 | SLC1A3 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230116972-A1 | CD38 MODULATORS AND METHODS OF USE THEREOF | CYTOKINETICS, INC. | 2023-04-20 | — | — | US | disclosed |
| US-20070149506-A1 | Azepine inhibitors of Janus kinases | INCYTE CORPORATION | 2007-06-28 | — | — | US | disclosed |
| WO-2004046073-A1 | METHOD FOR THE PRODUCTION OF ETHERS | BASF AKTIENGESELLSCHAFT (DE) | 2004-06-03 | — | — | WO | disclosed |
| EP-0293739-B1 | METHOD FOR THE PRODUCTION OF 4-ISOPROPYL-CYCLOHEXYLMETHANOL OR ITS ALKYL ETHERS | BASF Aktiengesellschaft (DE) | 1990-11-14 | — | — | EP | disclosed |
| US-4847425-A | Prepartion of 4-isopropylcyclohexylmethanol and its alkyl ethers | BASF AKTIENGESELLSCHAFT (DE) | 1989-07-11 | — | — | US | disclosed |
| EP-0293739-A1 | Method for the production of 4-isopropyl-cyclohexylmethanol or its alkyl ethers | BASF Aktiengesellschaft (DE) | 1988-12-07 | — | — | EP | disclosed |