⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3284707 | 0.82 | — | — | |
| SCHEMBL938393 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL143378 | 0.67 | — | — | |
| SCHEMBL1892473 | 0.67 | — | — | |
| Monoethanolamine SCHEMBL28350291 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL1415382 | 0.65 | — | — | |
| SCHEMBL123825 | 0.64 | — | — | |
| SCHEMBL1921795 | 0.64 | — | — | |
| SCHEMBL734552 | 0.64 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL9567674 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018086139-A1 | CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS | HANGZHOU DAC BIOTECH CO., LTD (CN) | 2018-05-17 | — | — | WO | disclosed |
| EP-0557345-B1 | 1,3-BIS- 3-(MONO- OR POLY-HYDROXY)ACYLAMINO-5-(MONO- OR POLY-HYDROXYALKYL)AMINOCARBONYL-2,4,6-TRIIODO-BENZOYL-AMINO]-HYDROXY- OR HYDROXYALKYL-PROPANES, THEIR METHODS OF PREPARATION AND X-RAY CONTRAST MEDIA CONTAINING THEM | DIBRA SPA (IT) | 1994-09-14 | — | — | EP | disclosed |
| EP-0557345-A1 | 1,3-BIS- 3-(MONO- OR POLY-HYDROXY)ACYLAMINO-5-(MONO- OR POLY-HYDROXYALKYL)AMINOCARBONYL-2,4,6-TRIIODO-BENZOYL-AMINO]-HYDROXY- OR HYDROXYALKYL-PROPANES, THEIR METHODS OF PREPARATION AND X-RAY CONTRAST MEDIA CONTAINING THEM. | DIBRA SPA (IT) | 1993-09-01 | — | — | EP | disclosed |
| WO-1992008691-A1 | 1,3-BIS-[3-(MONO- OR POLY-HYDROXY)ACYLAMINO-5-(MONO- OR POLY-HYDROXYALKYL)AMINOCARBONYL-2,4,6-TRIIODO-BENZOYL-AMINO]-HYDROXY- OR HYDROXYALKYL-PROPANES, THEIR METHODS OF PREPARATION AND X-RAY CONTRAST MEDIA CONTAINING THEM | BRACCO INDUSTRIA CHIMICA S.P.A. (IT) | 1992-05-29 | — | — | WO | disclosed |