⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2208458 | 0.79 | — | — | |
| SCHEMBL12860999 | 0.79 | — | — | |
| SCHEMBL8575268 | 0.74 | ALDH1A1 (0.49) | — | |
| SCHEMBL6816463 | 0.74 | NPSR1 (0.48) | — | |
| SCHEMBL7464632 | 0.70 | RAB9A (0.46) | — | |
| SCHEMBL10918558 | 0.68 | MAPT (0.35) | — | |
| SCHEMBL7662839 | 0.66 | MAPT (0.49) | — | |
| SCHEMBL7015920 | 0.64 | PPARD (0.35) | — | |
| SCHEMBL3056401 | 0.62 | — | — | |
| SCHEMBL11596189 | 0.62 | CA12 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104530037-B | Triazine heterocyclic compound with nematicidal activity and preparation method and application thereof | 华东理工大学 | 2020-12-18 | — | — | CN | disclosed |
| WO-2016116058-A1 | TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF | 华东理工大学 | 2016-07-28 | — | — | WO | disclosed |
| US-20010031760-A1 | Method of treating a patient having precancerous lesions with quinazoline derivatives | PAMUKCU RIFAT (US) | 2001-10-18 | — | — | US | disclosed |
| US-6262059-B1 | Method of treating a patient having precancerous lesions with quinazoline derivatives | CELL PATHWAYS, INC. | 2001-07-17 | — | — | US | disclosed |
| US-4171363-A | HYPOTENSIVE | BRISTOL-MYERS COMPANY (US) | 1979-10-16 | — | — | US | disclosed |
| US-4101548-A | HYPOTENSIVE | BRISTOL-MYERS COMPANY (US) | 1978-07-18 | — | — | US | disclosed |