⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9265060 | 1.00 | — | — | |
| SCHEMBL9265057 | 1.00 | — | — | |
| SCHEMBL9188344 | 0.93 | — | — | |
| SCHEMBL9188342 | 0.93 | — | — | |
| SCHEMBL2762585 | 0.93 | — | — | |
| SCHEMBL17578780 | 0.80 | MEN1 (0.42) | — | |
| SCHEMBL15919925 | 0.79 | NOS3 (0.48) | — | |
| SCHEMBL5032377 | 0.79 | NOS3 (0.43) | — | |
| SCHEMBL8561861 | 0.79 | NOS3 (0.48) | — | |
| SCHEMBL16854923 | 0.79 | NOS3 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9463187-B2 | Methylphenidate derivatives and uses of them | AMPIO PHARMACEUTICALS, INC. (US) | 2016-10-11 | — | — | US | disclosed |
| US-20120101129-A1 | Methylphenidate Derivatives and Uses of Them | AMPIO PHARMACEUTICALS, INC. | 2012-04-26 | — | — | US | disclosed |
| US-8076485-B2 | Methylphenidate derivatives and uses of them | INSTITUTE FOR MOLECULAR MEDICINE, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| WO-1999036403-A1 | NOVEL DOPAMINE RE-UPTAKE INHIBITORS AND METHODS OF SYNTHESIZING AND USING THE SAME | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1999-07-22 | — | — | WO | disclosed |
| EP-0014476-B1 | OPTICALLY ACTIVE ACYLATED CEPHALOSPORIN ANALOGS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | KYOWA HAKKO KOGYO CO., LTD (JP) | 1983-08-10 | — | — | EP | disclosed |