⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11423514 | 1.00 | — | — | |
| SCHEMBL7555039 | 1.00 | — | — | |
| SCHEMBL11409071 | 0.86 | — | — | |
| SCHEMBL11410457 | 0.86 | — | — | |
| SCHEMBL1194804 | 0.84 | SPHK2 (0.37) | — | |
| SCHEMBL1194805 | 0.84 | SPHK2 (0.37) | — | |
| SCHEMBL11407477 | 0.82 | SPHK2 (0.40) | — | |
| SCHEMBL18760857 | 0.79 | — | — | |
| SCHEMBL10791045 | 0.79 | — | — | |
| SCHEMBL10791050 | 0.79 | — | — |
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-6462220-B1 | Method for simultaneous preparation of 6-aminocapronitrile and hexamethylene diamine | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| EP-1107941-B1 | IMPROVED METHOD FOR SIMULTANEOUS PREPARATION OF 6-AMINOCAPRONITRILE AND HEXAMETHYLENE DIAMINE | BASF AG (DE) | 2002-07-17 | — | — | EP | disclosed |
| EP-1107941-A1 | IMPROVED METHOD FOR SIMULTANEOUS PREPARATION OF 6-AMINOCAPRONITRILE AND HEXAMETHYLENE DIAMINE | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000012459-A1 | IMPROVED METHOD FOR SIMULTANEOUS PREPARATION OF 6-AMINOCAPRONITRILE AND HEXAMETHYLENE DIAMINE | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-09 | — | — | WO | disclosed |
| US-4233300-A | ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS | E. R. SQUIBB & SONS, INC. (US) | 1980-11-11 | — | — | US | disclosed |
| US-4202899-A | ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS | E. R. SQUIBB & SONS, INC. (US) | 1980-05-13 | — | — | US | disclosed |