⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL146254 | 1.00 | — | — | |
| SCHEMBL6700574 | 1.00 | — | — | |
| SCHEMBL16538607 | 0.90 | CYP4F2 (0.32) | — | |
| SCHEMBL16538836 | 0.90 | CYP4F2 (0.32) | — | |
| SCHEMBL140892 | 0.86 | — | — | |
| SCHEMBL1025678 | 0.86 | — | — | |
| SCHEMBL1003243 | 0.86 | — | — | |
| SCHEMBL3980312 | 0.85 | — | — | |
| SCHEMBL3980085 | 0.85 | — | — | |
| SCHEMBL3598480 | 0.82 | DPP4 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112442029-A | Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine | 四川海思科制药有限公司 | 2021-03-05 | — | — | CN | disclosed |
| WO-2015028409-A1 | 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-03-05 | — | — | WO | disclosed |
| US-20120058989-A1 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | ACHAOGEN, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| EP-2250171-A2 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | Achaogen, Inc. (US) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009137130-A2 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | ACHAOGEN, INC. (US) | 2009-11-12 | — | — | WO | disclosed |