⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7998640 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL8005550 | 0.80 | — | — | |
| SCHEMBL7999021 | 0.80 | — | — | |
| SCHEMBL27552166 | 0.80 | — | — | |
| SCHEMBL7999027 | 0.80 | — | — | |
| SCHEMBL7990084 | 0.79 | — | — | |
| SCHEMBL8006668 | 0.77 | P2RX7 (0.44) | — | |
| SCHEMBL8000276 | 0.75 | GSK3A (0.30) | — | |
| SCHEMBL8001879 | 0.74 | — | — | |
| SCHEMBL8005273 | 0.73 | P2RX7 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6294536-B1 | CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION | TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) | 2001-09-25 | — | — | US | disclosed |
| WO-1999011634-A1 | TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-03-11 | — | — | WO | disclosed |