⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37967 | 0.95 | — | — | |
| SCHEMBL9817791 | 0.95 | — | — | |
| SCHEMBL27545781 | 0.90 | — | — | |
| SCHEMBL3627337 | 0.90 | — | — | |
| SCHEMBL3620674 | 0.90 | — | — | |
| Bromide SCHEMBL11224760 | 0.90 | — | — | |
| Methane SCHEMBL11212028 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL9200878 | 0.90 | — | — | |
| SCHEMBL27819979 | 0.79 | — | — | |
| Bicarbonate SCHEMBL19712789 | 0.76 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0099302-A2 | New process for the preparation of propargyl amines | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1984-01-25 | — | — | EP | claimed |
| CN-103834385-B | water-soluble nanocrystal and chemical synthesis and application thereof | TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) | 2015-11-04 | — | — | CN | disclosed |
| US-7456318-B2 | Process for preparing benzylated amines | MALLINCKRODT INC. (US) | 2008-11-25 | — | — | US | disclosed |
| US-20080188685-A1 | Process for Preparing Benzylated Amines | MALLINCKRODT INC. (US) | 2008-08-07 | — | — | US | disclosed |
| EP-1838658-A1 | PROCESS FOR PREPARING BENZYLATED AMINES | MALLINCKRODT, INC. (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006073547-A1 | PROCESS FOR PREPARING BENZYLATED AMINES | MALLINCKRODT INC. (US) | 2006-07-13 | — | — | WO | disclosed |
| EP-0099302-B1 | NEW PROCESS FOR THE PREPARATION OF PROPARGYL AMINES | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1986-10-01 | — | — | EP | disclosed |
| US-4564706-A | Process for the preparation of propargyl amines | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) | 1986-01-14 | — | — | US | disclosed |
| US-4564706-A | Process for the preparation of propargyl amines | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) | 1986-01-14 | — | — | US | disclosed |
| EP-0099302-A2 | New process for the preparation of propargyl amines | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1984-01-25 | — | — | EP | disclosed |
| EP-0099302-A2 | New process for the preparation of propargyl amines | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1984-01-25 | — | — | EP | disclosed |