⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4271852 | 0.86 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL11474192 | 0.83 | — | — | |
| SCHEMBL10887056 | 0.81 | — | — | |
| SCHEMBL11608628 | 0.80 | SMPD1 (0.34) | — | |
| SCHEMBL7021287 | 0.79 | — | — | |
| SCHEMBL28050220 | 0.79 | CYP4F2 (0.36) | — | |
| SCHEMBL13117340 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL18573833 | 0.78 | — | — | |
| SCHEMBL276006 | 0.78 | — | — | |
| SCHEMBL19431737 | 0.76 | TSHR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5602208-A | LUBRICANTS, MOLD RELEASE AGENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0599894-B1 | USE OF AMINOALKANOLAMIDE ESTERS AS AUXILIARIES IN THE PROCESSING OF THERMOPLASTICS | HENKEL KGAA (DE) | 1996-01-17 | — | — | EP | disclosed |
| EP-0599894-A1 | USE OF AMINOALKANOLAMIDE ESTERS AS AUXILIARIES IN THE PROCESSING OF THERMOPLASTICS. | HENKEL KGAA (DE) | 1994-06-08 | — | — | EP | disclosed |
| WO-1993003903-A1 | USE OF AMINOALKANOLAMIDE ESTERS AS AUXILIARIES IN THE PROCESSING OF THERMOPLASTICS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1993-03-04 | — | — | WO | disclosed |