⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9766489 | 0.71 | HDAC1 (0.60) | — | |
| SCHEMBL452330 | 0.71 | TDP1 (0.46) | — | |
| SCHEMBL7939021 | 0.69 | — | — | |
| SCHEMBL15455666 | 0.69 | TDP1 (0.43) | — | |
| SCHEMBL29137677 | 0.69 | TDP1 (0.43) | — | |
| SCHEMBL11058800 | 0.69 | — | — | |
| SCHEMBL7937569 | 0.69 | — | — | |
| SCHEMBL12806444 | 0.69 | — | — | |
| SCHEMBL12657638 | 0.69 | — | — | |
| SCHEMBL109114 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1448511-A1 | METHOD FOR PRODUCING MONOISOPROPYLAMINE | BASF AKTIENGESELLSCHAFT (DE) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003042158-A1 | METHOD FOR PRODUCING MONOISOPROPYLAMINE | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-22 | — | — | WO | disclosed |