⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21973799 | 0.90 | DNM1 (0.46) | — | |
| SCHEMBL4898751 | 0.83 | — | — | |
| SCHEMBL38661921 | 0.83 | CHRM2 (0.41) | — | |
| SCHEMBL1470173 | 0.81 | — | — | |
| SCHEMBL4235434 | 0.80 | — | — | |
| SCHEMBL811655 | 0.80 | — | — | |
| Butane SCHEMBL25264062 | 0.76 | CA12 (0.38) | — | |
| Propane SCHEMBL11051481 | 0.76 | CA12 (0.38) | — | |
| Hydrochloric Acid SCHEMBL5004272 | 0.76 | — | — | |
| Ethane SCHEMBL1285178 | 0.76 | CA12 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2780385-A1 | PROCESSES, PRODUCTS, AND COMPOSITIONS HAVING TETRAALKYLGUANIDINE SALT OF AROMATIC CARBOXYLIC ACID | Air Products and Chemicals, Inc. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074907-A1 | PROCESSES, PRODUCTS, AND COMPOSITIONS HAVING TETRAALKYLGUANIDINE SALT OF AROMATIC CARBOXYLIC ACID | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2013-05-23 | — | — | WO | disclosed |
| US-4346087-A | CORROSION RESISTANCE | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 1982-08-24 | — | — | US | disclosed |