⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10488288 | 1.00 | — | — | |
| SCHEMBL13545070 | 0.78 | — | — | |
| SCHEMBL8645053 | 0.78 | — | — | |
| SCHEMBL11214987 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL11214991 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL4571220 | 0.76 | — | — | |
| SCHEMBL2069159 | 0.76 | — | — | |
| SCHEMBL11845903 | 0.76 | — | — | |
| SCHEMBL11845905 | 0.76 | — | — | |
| SCHEMBL741152 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-1016770-A | — | — | None | — | — | JP | disclosed |
| JP-S6416770-A | PRODUCTION OF PYRIMIDINE DERIVATIVE | ISHIHARA MINING & CHEMICAL CO | 1989-01-20 | — | — | JP | disclosed |
| US-3948915-A | 2-Halopyrimidine derivatives and a method for their preparation | DAIICHI SEIYAKU, CO., LTD. (JA) | 1976-04-06 | — | — | US | disclosed |