⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12147461 | 0.81 | — | — | |
| SCHEMBL157478 | 0.75 | — | — | |
| SCHEMBL4728010 | 0.75 | — | — | |
| SCHEMBL1153665 | 0.72 | — | — | |
| SCHEMBL322175 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5152368 | 0.72 | — | — | |
| Water SCHEMBL2817750 | 0.72 | — | — | |
| SCHEMBL16970095 | 0.72 | — | — | |
| Fluoride SCHEMBL5015784 | 0.72 | — | — | |
| SCHEMBL1371659 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160101179-A1 | COMPOUND FORMULATIONS OF 2-AMINO-1, 3-PROPANEDIOL COMPOUNDS | BURANACHOKPAISAN THITIWAN (US) | 2016-04-14 | — | — | US | disclosed |
| EP-1075462-A2 | PROCESS FOR THE PREPARATION OF S- N,N'- BIS[2- HYDROXY-1- (HYDROXYMETHYL) ETHYL]-5- [(2- HYDROXY-1- OXOPROPYL)- AMINO]- 2,4,6- TRIIODO- 1,3- BENZENEDICARBOXAMIDE | BRACCO IMAGING S.p.A. (IT) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999058494-A2 | PROCESS FOR THE PREPARATION OF S- N,N'- BIS[2- HYDROXY-1- (HYDROXYMETHYL) ETHYL]-5- [(2- HYDROXY-1- OXOPROPYL)- AMINO]- 2,4,6- TRIIODO- 1,3- BENZENEDICARBOXAMIDE | DIBRA S.P.A. (IT) | 1999-11-18 | — | — | WO | disclosed |