⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1586539 | 0.76 | — | — | |
| N-Methyl-N-Nitrosurea SCHEMBL28025247 | 0.71 | ALDH1A1 (0.39) | — | |
| N-Methyl-N-Nitrosurea SCHEMBL38377 | 0.71 | — | — | |
| SCHEMBL20865498 | 0.69 | NOS1 (0.33) | — | |
| SCHEMBL244909 | 0.69 | — | — | |
| SCHEMBL244908 | 0.69 | — | — | |
| SCHEMBL10288873 | 0.69 | — | — | |
| SCHEMBL6829129 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL28849840 | 0.69 | — | — | |
| SCHEMBL128211 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9233924-B2 | Methods for preparing D-threo methylphenidate using diazomethane, and compositions thereof | AMPAC FINE CHEMICALS LLC (US) | 2016-01-12 | — | — | US | claimed |
| US-20150259289-A1 | METHODS FOR PREPARING D-THREO METHYLPHENIDATE USING DIAZOMETHANE, AND COMPOSITIONS THEREOF | AMPAC FINE CHEMICALS LLC (US) | 2015-09-17 | — | — | US | claimed |
| US-9573896-B2 | Methods for preparing d-threo-methylphenidate using diazomethane, and compositions thereof | AMPAC FINE CHEMICALS LLC (US) | 2017-02-21 | — | — | US | disclosed |
| US-20160090356-A1 | METHODS FOR PREPARING D-THREO-METHYLPHENIDATE USING DIAZOMETHANE, AND COMPOSITIONS THEREOF | AMPAC FINE CHEMICALS LLC | 2016-03-31 | — | — | US | disclosed |
| US-9233924-B2 | Methods for preparing D-threo methylphenidate using diazomethane, and compositions thereof | AMPAC FINE CHEMICALS LLC (US) | 2016-01-12 | — | — | US | disclosed |
| US-20150259289-A1 | METHODS FOR PREPARING D-THREO METHYLPHENIDATE USING DIAZOMETHANE, AND COMPOSITIONS THEREOF | AMPAC FINE CHEMICALS LLC (US) | 2015-09-17 | — | — | US | disclosed |
| EP-0916648-B1 | Continuous process for diazomethane | AEROJET FINE CHEMICALS LLC (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-0916648-A1 | Continuous process for diazomethane | AEROJET-GENERAL CORPORATION (US) | 1999-05-19 | — | — | EP | disclosed |
| US-5854405-A | Continuous process for diazomethane from an n-methyl-n-nitrosoamine and from methylurea through n-methyl-n-nitrosourea | AEROJET-GENERAL CORPORATION (US) | 1998-12-29 | — | — | US | disclosed |