⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL142354 | 0.77 | — | — | |
| SCHEMBL7077365 | 0.77 | — | — | |
| SCHEMBL7506178 | 0.67 | — | — | |
| SCHEMBL2370879 | 0.65 | CYP1A2 (0.41) | — | |
| SCHEMBL11916237 | 0.65 | IDO1 (0.30) | — | |
| SCHEMBL2743517 | 0.65 | — | — | |
| SCHEMBL1244133 | 0.63 | — | — | |
| SCHEMBL6268354 | 0.63 | — | — | |
| SCHEMBL8743049 | 0.63 | — | — | |
| SCHEMBL31265007 | 0.63 | — | — |
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-6342503-B1 | ANTIDEPRESSANTS, EATING DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2002-01-29 | — | — | US | disclosed |
| US-6107301-A | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| EP-0723533-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995010506-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-20 | — | — | WO | disclosed |
| US-5095113-A | Preparation of methyl-1,3-5-triazines | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-03-10 | — | — | US | disclosed |