⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8058582 | 0.91 | — | — | |
| SCHEMBL8068095 | 0.91 | — | — | |
| SCHEMBL8072778 | 0.91 | — | — | |
| SCHEMBL8069492 | 0.90 | — | — | |
| SCHEMBL8058854 | 0.82 | — | — | |
| SCHEMBL8059011 | 0.82 | — | — | |
| SCHEMBL8059004 | 0.81 | — | — | |
| SCHEMBL9722664 | 0.74 | NLRP3 (0.31) | — | |
| SCHEMBL8069579 | 0.74 | — | — | |
| SCHEMBL8061091 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6096930-A | PREPARATION OF 2-METHYLINDANECARBOXYALDEHYDES BY REACTING A MALONYL HALIDE WITH A BENZENE DERIVATIVE, REDUCTION OF THE FORMED INDANEDIONE, REACTION WITH DICHLOROMETHYL METHYL ETHER | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2000-08-01 | — | — | US | disclosed |
| WO-1996006071-A1 | NOVEL HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1996-02-29 | — | — | WO | disclosed |