Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Ammonia Solution, Strong. 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8651565 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2556758 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL1246195 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL6858451 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL2525071 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL23930398 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL219475 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL20496416 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL20590969 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL162701 | 0.67 | — | — |
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-8946468-B2 | Process for producing ester compound having an internal unsaturated bond or cyclic olefin | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2015-02-03 | — | — | US | disclosed |
| US-8507728-B2 | Method for manufacturing ketone | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2013-08-13 | — | — | US | disclosed |
| US-20120316360-A1 | PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND | OSAKA UNIVERSITY (JP) | 2012-12-13 | — | — | US | disclosed |
| EP-2487149-A1 | METHOD FOR PRODUCING KETONE | JX Nippon Oil & Energy Corporation (JP) | 2012-08-15 | — | — | EP | disclosed |
| US-20120197036-A1 | METHOD FOR MANUFACTURING KETONE | OSAKA UNIVERSITY (JP) | 2012-08-02 | — | — | US | disclosed |
| US-20110288340-A1 | METHOD FOR MANUFACTURING KETONE | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2011-11-24 | — | — | US | disclosed |
| EP-2364965-A1 | KETONE MANUFACTURING METHOD | JX Nippon Oil & Energy Corporation (JP) | 2011-09-14 | — | — | EP | disclosed |