⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13108275 | 0.89 | CA1 (0.32) | — | |
| Trimethylammonium SCHEMBL11420603 | 0.89 | — | — | |
| SCHEMBL5025915 | 0.88 | — | — | |
| SCHEMBL21639904 | 0.88 | — | — | |
| SCHEMBL12826500 | 0.88 | — | — | |
| SCHEMBL341760 | 0.88 | HSD17B10 (0.35) | — | |
| SCHEMBL11240036 | 0.88 | — | — | |
| SCHEMBL12266634 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL56965 | 0.85 | — | — | |
| SCHEMBL13108277 | 0.85 | HSD17B10 (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438666-A | Low temperature resistant, anti-ballistic materials and its preparation method and application | 湖南御邦华安新材料科技有限公司 | 2019-03-08 | — | — | CN | claimed |
| CN-109438666-A | Low temperature resistant, anti-ballistic materials and its preparation method and application | 湖南御邦华安新材料科技有限公司 | 2019-03-08 | — | — | CN | disclosed |
| US-8853308-B2 | Hydrodispersible polyisocyanate compositions | VENCOREX FRANCE (FR) | 2014-10-07 | — | — | US | disclosed |
| CN-101864283-B | Water-based drilling fluid composition containing amine compound | CNPC DRILLING RES INST | 2012-12-26 | — | — | CN | disclosed |
| US-20110151127-A1 | NOVEL MIXTURES OF POLYISOCYANATE COMPOSITIONS | PERSTORP FRANCE (FR) | 2011-06-23 | — | — | US | disclosed |
| US-20100273920-A1 | NOVEL HYDRODISPERSIBLE POLYISOCYANATE COMPOSITIONS | PERSTORP FRANCE (FR) | 2010-10-28 | — | — | US | disclosed |
| CN-101864283-A | Water-based drilling fluid composition containing amine compound | KELAMAYI JINYE CHEMICAL INDUSTRY CO LTD | 2010-10-20 | — | — | CN | disclosed |
| EP-1041094-B1 | Water-based coating composition | NIPPON MITSUBISHI OIL CORP (JP) | 2005-06-08 | — | — | EP | disclosed |
| US-6368521-B1 | ULTRAVIOLET ABSORPTION ACRYLIC POLYMER | NIPPON MITSUBISHI OIL CORPORATION (JP) | 2002-04-09 | — | — | US | disclosed |
| EP-1041094-A1 | Water-based coating composition | Nippon Mitsubishi Oil Corporation (JP) | 2000-10-04 | — | — | EP | disclosed |