⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14269847 | 0.68 | CRBN (0.38) | — | |
| SCHEMBL13153943 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL21428039 | 0.62 | — | — | |
| SCHEMBL9299472 | 0.58 | LPO (0.35) | — | |
| SCHEMBL21236685 | 0.56 | EPHB3 (0.46) | — | |
| SCHEMBL84746 | 0.56 | NPC1 (0.47) | — | |
| SCHEMBL18357945 | 0.55 | KDM4E (0.36) | — | |
| SCHEMBL10308911 | 0.55 | SCN5A (0.48) | — | |
| SCHEMBL21236688 | 0.55 | — | — | |
| SCHEMBL21818710 | 0.54 | SMPD3 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019189945-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-10-03 | — | — | WO | disclosed |
| US-5302712-A | Intermediates for cephem compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-12 | — | — | US | disclosed |
| US-5215982-A | Antibiotics | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-06-01 | — | — | US | disclosed |
| EP-0427248-A2 | New cephem compounds and processes for preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-15 | — | — | EP | disclosed |