⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458475 | 0.76 | — | — | |
| SCHEMBL1613565 | 0.74 | — | — | |
| SCHEMBL400262 | 0.74 | — | — | |
| SCHEMBL8762709 | 0.72 | LMNA (0.41) | — | |
| SCHEMBL7781961 | 0.71 | — | — | |
| SCHEMBL1612762 | 0.70 | LMNA (0.44) | — | |
| SCHEMBL28231740 | 0.69 | — | — | |
| SCHEMBL1613561 | 0.69 | — | — | |
| SCHEMBL6343599 | 0.67 | — | — | |
| SCHEMBL11033040 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001019601-A | MICROBICIDAL ANTISEPTIC COMPOSITION | K I CHEMICAL INDUSTRY CO LTD | 2001-01-23 | — | — | JP | disclosed |
| US-5144087-A | PROCESS FOR THE PREPARATION OF DIBROMONITRO-ALCOHOLS AND BLENDS WITH DIBROMONITRO-ALCOHOLS | GREAT LAKES CHEMICAL CORP. (US) | 1992-09-01 | — | — | US | disclosed |
| WO-1992011229-A1 | PROCESS FOR THE PREPARATION OF BROMONITRO-ALCOHOLS, DIBROMONITRO-ALCOHOLS AND BLENDS THEREOF | GREAT LAKES CHEMICAL CORPORATION (US) | 1992-07-09 | — | — | WO | disclosed |