⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1276477 | 0.92 | CA1 (0.32) | — | |
| SCHEMBL1725942 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL2692088 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL1276819 | 0.86 | — | — | |
| SCHEMBL11095666 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL941407 | 0.86 | — | — | |
| SCHEMBL1276843 | 0.85 | ADRB2 (0.35) | — | |
| SCHEMBL1276971 | 0.82 | ADRB2 (0.36) | — | |
| SCHEMBL11499588 | 0.81 | CA1 (0.38) | — | |
| SCHEMBL11062492 | 0.80 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102150315-B | Secondary cell | NEC CORP. (JP) | 2015-07-29 | — | — | CN | disclosed |
| EP-2384331-A1 | MIXED GLYCOL POLYPHOSPHONATE COMPOUNDS | Albemarle Corporation (US) | 2011-11-09 | — | — | EP | disclosed |
| US-20110218260-A1 | Mixed Glycol Polyphosphonate Compounds | ALBEMARLE CORPORATION (US) | 2011-09-08 | — | — | US | disclosed |
| CN-102150315-A | Secondary battery | NEC CORP | 2011-08-10 | — | — | CN | disclosed |
| CN-102037600-A | Secondary battery | NEC CORP | 2011-04-27 | — | — | CN | disclosed |
| US-20110070504-A1 | SECONDARY BATTERY | NEC CORPORATION (JP) | 2011-03-24 | — | — | US | disclosed |
| EP-2280444-A1 | SECONDARY BATTERY | NEC Corporation (JP) | 2011-02-02 | — | — | EP | disclosed |
| WO-2010048121-A1 | MIXED GLYCOL POLYPHOSPHONATE COMPOUNDS | ALBEMARLE CORPORATION (US) | 2010-04-29 | — | — | WO | disclosed |
| US-4137240-A | Hydroformylation process for preparation of predominantly linear aldehydes | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1979-01-30 | — | — | US | disclosed |
| US-4067903-A | Manufacture of arylamines | BASF AKTIENGESELLSCHAFT (DT) | 1978-01-10 | — | — | US | disclosed |
| US-3998622-A | FROM RHODIUM TRIALKYL PHOSPHITE LIGAND COMPLEX CATALYST; HOLLOW, POROUS AGGLOMERATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-12-21 | — | — | US | disclosed |