⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8213392 | 0.95 | — | — | |
| SCHEMBL6902960 | 0.95 | — | — | |
| Phosphine SCHEMBL2910277 | 0.91 | — | — | |
| SCHEMBL8740079 | 0.78 | — | — | |
| SCHEMBL16236515 | 0.73 | — | — | |
| SCHEMBL8023013 | 0.70 | — | — | |
| SCHEMBL9378109 | 0.67 | — | — | |
| SCHEMBL28465767 | 0.64 | — | — | |
| SCHEMBL9405222 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL9014857 | 0.64 | — | — |
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-118005619-A | Process for producing heterocyclic compound | 武田药品工业株式会社 | 2024-05-10 | — | — | CN | disclosed |
| CN-110753689-B | Process for producing heterocyclic compound | 武田药品工业株式会社 | 2024-01-26 | — | — | CN | disclosed |
| US-20160096819-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2016-04-07 | — | — | US | disclosed |
| EP-2997020-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184343-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2014-11-20 | — | — | WO | disclosed |
| WO-2004074333-A2 | PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2004-09-02 | — | — | WO | disclosed |