⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11912879 | 0.97 | — | — | |
| SCHEMBL12328242 | 0.79 | — | — | |
| SCHEMBL12833367 | 0.72 | — | — | |
| SCHEMBL10809897 | 0.72 | — | — | |
| SCHEMBL13083134 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27940414 | 0.68 | — | — | |
| SCHEMBL300167 | 0.67 | — | — | |
| SCHEMBL19154435 | 0.63 | — | — | |
| SCHEMBL14028669 | 0.61 | — | — | |
| SCHEMBL11146298 | 0.59 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012081723-A1 | SYNTHETIC PATHWAY CONSTRUCTING EQUIPMENT, SYNTHETIC PATHWAY CONSTRUCTING METHOD, SYNTHETIC PATHWAY CONSTRUCTING PROGRAM, AND PROCESSES FOR MANUFACTURING 3-HYDROXYPROPIONIC ACID, CROTONYL ALCOHOL AND BUTADIENE | 三菱化学株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |
| EP-2423323-A1 | METHOD FOR EVALUATING CANCER | Nec Corporation (JP) | 2012-02-29 | — | — | EP | disclosed |
| EP-2420183-A1 | USER-SPECIFIC DATA PROVISION SYSTEM, USER-SPECIFIC DATA PROVISION METHOD, SERVER DEVICE, AND HANDHELD DEVICE | Arkray, Inc. (JP) | 2012-02-22 | — | — | EP | disclosed |
| US-20110274929-A1 | LITHIUM TITANATE AGGREGATE AND METHOD OF PREPARING THE SAME | SAMSUNG SDI CO., LTD. (KR) | 2011-11-10 | — | — | US | disclosed |
| WO-2011065775-A2 | NETWORK SYSTEM AND METHOD OF CONTROLLING NETWORK SYSTEM | LG ELECTRONICS INC. (KR) | 2011-06-03 | — | — | WO | disclosed |
| EP-2149324-A1 | Autonomous surface cleaning robot for wet and dry cleaning | Irobot Corporation (US) | 2010-02-03 | — | — | EP | disclosed |
| US-7551362-B2 | Projection optical system and method for photolithography and exposure apparatus and method using same | NIKON CORPORATION (JP) | 2009-06-23 | — | — | US | disclosed |
| US-7451274-B2 | Memory control device, move-in buffer control method | FUJITSU LIMITED (JP) | 2008-11-11 | — | — | US | disclosed |
| EP-1642016-B1 | COMBUSTION CONTROL FOR ENGINE | NISSAN MOTOR (JP) | 2008-07-30 | — | — | EP | disclosed |