⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL804643 | 0.59 | — | — | |
| SCHEMBL19309481 | 0.56 | — | — | |
| SCHEMBL23138777 | 0.56 | — | — | |
| SCHEMBL180027 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL23327460 | 0.50 | — | — | |
| SCHEMBL4481465 | 0.50 | — | — | |
| Trisulfane SCHEMBL36954 | 0.50 | — | — | |
| SCHEMBL172102 | 0.50 | — | — | |
| Trisulfane SCHEMBL737023 | 0.50 | — | — | |
| SCHEMBL446659 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4283195-A1 | CONTROLLING A MIXING RATIO | Siemens Aktiengesellschaft (DE) | 2023-11-29 | — | — | EP | disclosed |
| EP-3647020-A1 | CATALYST, CATALYST CARRIER OR ABSORBENT MONOLITH OF STACKED STRANDS | BASF SE (DE) | 2020-05-06 | — | — | EP | disclosed |
| EP-3647019-A1 | CATALYST MONOLITH FOR THE CATALYTIC OXIDATION OF SO2 TO SO3 | BASF SE (DE) | 2020-05-06 | — | — | EP | disclosed |
| WO-2018031662-A1 | PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF | GENENTECH, INC. (US) | 2018-02-15 | — | — | WO | disclosed |