⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29510 | 0.97 | — | — | |
| Methane SCHEMBL11394756 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL6393436 | 0.95 | — | — | |
| Nitrogen SCHEMBL27722759 | 0.92 | — | — | |
| Ethyne SCHEMBL28029265 | 0.92 | ALDH1A1 (0.52) | — | |
| Allylamine SCHEMBL21811621 | 0.90 | ALDH1A1 (0.50) | — | |
| Dimethylamine SCHEMBL3468998 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL26914634 | 0.90 | ALDH1A1 (0.50) | — | |
| Butanedione SCHEMBL27637216 | 0.88 | ALDH1A1 (0.48) | — | |
| SCHEMBL27740027 | 0.88 | ALDH1A1 (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5362770-A | Bonding surfactant to surface of particle property modifier, such as pigment, in polymer dispersion | KERR-MCGEE CHEMICAL CORPORATION (US) | 1994-11-08 | — | — | US | claimed |
| CN-1086228-A | Improve hydrophobic method by metal ion activation | KERR MC GEE CHEM CORP (US) | 1994-05-04 | — | — | CN | claimed |
| EP-0593219-A2 | Improved hydrophobicity through metal ion activation | KERR-McGEE CHEMICAL CORPORATION (US) | 1994-04-20 | — | — | EP | claimed |
| CN-110003457-A | The manufacturing method of carbonate resin, its manufacturing method, resin varnish and plywood containing allyl | 群荣化学工业株式会社 | 2019-07-12 | — | — | CN | disclosed |
| US-5362770-A | Bonding surfactant to surface of particle property modifier, such as pigment, in polymer dispersion | KERR-MCGEE CHEMICAL CORPORATION (US) | 1994-11-08 | — | — | US | disclosed |
| EP-0593219-A2 | Improved hydrophobicity through metal ion activation | KERR-McGEE CHEMICAL CORPORATION (US) | 1994-04-20 | — | — | EP | disclosed |
| US-5260353-A | Surface treatment of titanium dioxide pigment by metal ion activation, flocculation | KERR-MCGEE CHEMICAL CORPORATION (US) | 1993-11-09 | — | — | US | disclosed |