⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL9697718 | 0.88 | ALDH1A1 (0.44) | — | |
| Isopropylamine SCHEMBL333220 | 0.84 | — | — | |
| Ethylamine SCHEMBL27874804 | 0.82 | TSHR (0.47) | — | |
| Isopropylamine SCHEMBL4217378 | 0.82 | — | — | |
| Isopropylamine SCHEMBL316025 | 0.80 | — | — | |
| Isopropylamine SCHEMBL27362252 | 0.80 | — | — | |
| Ethylamine SCHEMBL19327142 | 0.80 | — | — | |
| Isopropylamine SCHEMBL5070966 | 0.80 | — | — | |
| Ethylamine SCHEMBL27934629 | 0.79 | ALDH1A1 (0.44) | — | |
| Isopropylamine SCHEMBL19178287 | 0.79 | ALDH1A1 (0.44) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4605740-A | Process for the production of N-substituted acrylic acid amides | CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) | 1986-08-12 | — | — | US | claimed |
| CN-112110484-A | Amorphous TiO for lithium battery2Ultraviolet light induced crystallization preparation method of hydrolysis ball | 华北电力大学 | 2020-12-22 | — | — | CN | disclosed |
| US-8859695-B2 | Activator for epoxy resin compositions | SIKA TECHNOLOGY AG (CH) | 2014-10-14 | — | — | US | disclosed |
| CN-103492404-A | C-4' substituted macrolide derivatives | TAISHO PHARMACEUTICAL CO LTD | 2014-01-01 | — | — | CN | disclosed |
| US-20130253094-A1 | ACTIVATOR FOR EPOXY RESIN COMPOSITIONS | SIKA TECHNOLOGY AG (CH) | 2013-09-26 | — | — | US | disclosed |
| US-20110039109-A1 | ACTIVATOR FOR EPOXY RESIN COMPOSITIONS | SIKA TECHNOLOGY AG (CH) | 2011-02-17 | — | — | US | disclosed |
| US-4605740-A | Process for the production of N-substituted acrylic acid amides | CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) | 1986-08-12 | — | — | US | disclosed |
| US-3980699-A | ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC | SYNTEX CORPORATION (PM) | 1976-09-14 | — | — | US | disclosed |