Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL27573794 | 0.90 | CES2 (0.30) | — | |
| SCHEMBL423119 | 0.86 | CES2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL27592323 | 0.84 | CES2 (0.33) | — | |
| Chloromethane SCHEMBL5007039 | 0.83 | TSHR (0.34) | — | |
| Acrylic Acid SCHEMBL16633113 | 0.77 | LMNA (0.34) | — | |
| SCHEMBL16278670 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL1067453 | 0.74 | FAAH (0.44) | — | |
| SCHEMBL28314787 | 0.74 | ALDH1A1 (0.32) | — | |
| Trimethylammonium SCHEMBL27920518 | 0.73 | — | — | |
| SCHEMBL19816066 | 0.73 | FAAH (0.47) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1872734-B | A method for improving flux in a membrane bioreactor | NALCO CO | 2011-08-24 | — | — | CN | claimed |
| CN-101511739-A | Method for improving membrane bioreactor performance | NALCO CO (US) | 2009-08-19 | — | — | CN | claimed |
| CN-1872734-A | A method for improving flux in a membrane bioreactor | NALCO CO (US) | 2006-12-06 | — | — | CN | claimed |
| CN-107849821-A | Aldehyde-functionalized polymers for paper strength and dewatering | 艺康美国股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-106796178-A | Oxoanion concentration determination using aluminum reagents | 艺康美国股份有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-1872734-B | A method for improving flux in a membrane bioreactor | NALCO CO | 2011-08-24 | — | — | CN | disclosed |
| CN-101583572-A | Antimicrobial composition | NALCO CO (US) | 2009-11-18 | — | — | CN | disclosed |
| EP-2109441-A2 | POLYSILOXANE BLOCK COPOLYMERS | Ciba Holding Inc. (CH) | 2009-10-21 | — | — | EP | disclosed |
| CN-101511739-A | Method for improving membrane bioreactor performance | NALCO CO (US) | 2009-08-19 | — | — | CN | disclosed |
| CN-101501089-A | Block copolymers of diallyldialkylammonium derivatives | CIBA HOLDING INC (CH) | 2009-08-05 | — | — | CN | disclosed |
| WO-2008095822-A2 | POLYSILOXANE BLOCK COPOLYMERS | CIBA HOLDING INC. (CH) | 2008-08-14 | — | — | WO | disclosed |
| CN-1872734-A | A method for improving flux in a membrane bioreactor | NALCO CO (US) | 2006-12-06 | — | — | CN | disclosed |