⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25687242 | 1.00 | — | — | |
| SCHEMBL217054 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6266858 | 0.97 | — | — | |
| Water SCHEMBL29236409 | 0.97 | — | — | |
| SCHEMBL19295597 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL24017050 | 0.82 | OPRM1 (0.40) | — | |
| SCHEMBL20365804 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL428264 | 0.82 | OPRM1 (0.40) | — | |
| SCHEMBL14928991 | 0.81 | — | — | |
| SCHEMBL19956908 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9051310-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2015-06-09 | — | — | US | disclosed |
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-20140309225-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2014-10-16 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |
| EP-1235786-B1 | METHOD FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS | DSM IP ASSETS BV (NL) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006030017-A1 | SYNTHESIS OF AMINE STEREOISOMERS | INTERNATIONAL UNIVERSITY BREMEN GMBH (DE) | 2006-03-23 | — | — | WO | disclosed |
| US-6794542-B2 | PHENYLGLYCINE AMIDE DERIVATIVES OBTAINED ARE INTERESTING STARTING MATERIALS FOR THE PREPARATION OF FOR EXAMPLE ENANTIOMERICALLY ENRICHED ALPHA - AND OR BETA - AMINO ACIDS AND DERIVATIVES THEREOF | DSM N.V. (NL) | 2004-09-21 | — | — | US | disclosed |
| US-20030097005-A1 | Method for the preparation of enantiomerically enriched compounds | DSM IP ASSETS B.V. (NL) | 2003-05-22 | — | — | US | disclosed |
| EP-1235786-A2 | METHOD FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS | DSM N.V. (NL) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001042173-A2 | METHOD FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS | DSM N.V. (NL) | 2001-06-14 | — | — | WO | disclosed |