⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10203456 | 1.00 | — | — | |
| SCHEMBL10203451 | 1.00 | — | — | |
| SCHEMBL8927140 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL10664284 | 0.80 | — | — | |
| SCHEMBL109566 | 0.79 | — | — | |
| SCHEMBL15574 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL12852761 | 0.77 | DPP4 (0.31) | — | |
| SCHEMBL602555 | 0.77 | DPP4 (0.31) | — | |
| SCHEMBL602556 | 0.77 | DPP4 (0.31) | — | |
| SCHEMBL10571337 | 0.77 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022115990-A1 | POLYISOCYANATE COMPOSITION, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 万华化学集团股份有限公司 | 2022-06-09 | — | — | WO | claimed |
| EP-2091911-B1 | PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES | EVONIK DEGUSSA GMBH (DE) | 2015-04-29 | — | — | EP | claimed |
| US-20120313031-A1 | COMPOUNDS MADE OF (CYCLO)ALIPHATIC DIISOCYANATES AND AROMATIC ACID HALIDES | EVONIK DEGUSSA GMBH (DE) | 2012-12-13 | — | — | US | claimed |
| US-20100036154-A1 | PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES | EVONIK DEGUSSA GMBH (DE) | 2010-02-11 | — | — | US | claimed |
| EP-2091911-B1 | PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES | EVONIK DEGUSSA GMBH (DE) | 2015-04-29 | — | — | EP | disclosed |
| US-8816125-B2 | Process for the continuous preparation of (cyclo)aliphatic diisocyanates | EVONIK DEGUSSA GMBH (DE) | 2014-08-26 | — | — | US | disclosed |
| US-20120313031-A1 | COMPOUNDS MADE OF (CYCLO)ALIPHATIC DIISOCYANATES AND AROMATIC ACID HALIDES | EVONIK DEGUSSA GMBH (DE) | 2012-12-13 | — | — | US | disclosed |
| US-20120041028-A1 | BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE | GLAXO GROUP LIMITED | 2012-02-16 | — | — | US | disclosed |
| US-20100280071-A1 | BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | US | disclosed |
| US-20100036154-A1 | PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES | EVONIK DEGUSSA GMBH (DE) | 2010-02-11 | — | — | US | disclosed |
| CN-1659156-A | Novel guanidinobenzamides | CHIRON CORP (US) | 2005-08-24 | — | — | CN | disclosed |