⚠ 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 | |
|---|---|---|---|---|
| Diethylaminoethanol SCHEMBL10699915 | 0.97 | — | — | |
| Diethylaminoethanol SCHEMBL3114 | 0.97 | — | — | |
| Diethylaminoethanol SCHEMBL3296548 | 0.93 | — | — | |
| Diethylaminoethanol SCHEMBL20815437 | 0.93 | — | — | |
| Diethylaminoethanol SCHEMBL29979342 | 0.93 | — | — | |
| Diethylaminoethanol SCHEMBL3848943 | 0.93 | — | — | |
| Diethylaminoethanol SCHEMBL20293885 | 0.93 | — | — | |
| Trolamine SCHEMBL22749413 | 0.93 | CYP1A2 (0.52) | — | |
| Diethylaminoethanol SCHEMBL8786270 | 0.93 | — | — | |
| Diethylaminoethanol SCHEMBL1469926 | 0.93 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100093981-A1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | METKINEN CHEMISTRY OY (FI) | 2010-04-15 | — | — | US | claimed |