⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8862917 | 0.97 | — | — | |
| SCHEMBL31524001 | 0.73 | ALDH1A1 (0.33) | — | |
| Trimethylammonium SCHEMBL6209066 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL2550996 | 0.72 | — | — | |
| Chloroform SCHEMBL27472490 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL10416376 | 0.71 | — | — | |
| SCHEMBL31524041 | 0.70 | ALDH1A1 (0.31) | — | |
| Trimethylammonium SCHEMBL941893 | 0.70 | — | — | |
| SCHEMBL30575221 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL13177242 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015165795-A1 | NOVEL TERTIARY DIAMINES OF THE 1,3-DIAMINO-2-PROPANOL FAMILY, PROCESS FOR THE SYNTHESIS THEREOF AND USE THEREOF FOR REMOVING ACIDIC COMPOUNDS FROM A GASEOUS EFFLUENT | IFP Energies Nouvelles (FR) | 2015-11-05 | — | — | WO | claimed |
| WO-2015165795-A1 | NOVEL TERTIARY DIAMINES OF THE 1,3-DIAMINO-2-PROPANOL FAMILY, PROCESS FOR THE SYNTHESIS THEREOF AND USE THEREOF FOR REMOVING ACIDIC COMPOUNDS FROM A GASEOUS EFFLUENT | IFP Energies Nouvelles (FR) | 2015-11-05 | — | — | WO | disclosed |
| US-4851532-A | PLANT GROWTH REGULATORS, MICROBIOCIDES, DEBONDING AGENTS IN PAPERMAKING, TEXTILE SOFTENERS, FLOCCULANTS, DEMULSIFIERS | BUCKMAN LABORATORIES, INC. (US) | 1989-07-25 | — | — | US | disclosed |