⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8211138 | 0.96 | — | — | |
| SCHEMBL8646558 | 0.96 | — | — | |
| SCHEMBL854451 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL11710679 | 0.93 | — | — | |
| Water SCHEMBL3893800 | 0.93 | — | — | |
| SCHEMBL8170509 | 0.84 | — | — | |
| SCHEMBL16236618 | 0.80 | — | — | |
| SCHEMBL28248024 | 0.76 | — | — | |
| SCHEMBL42607 | 0.67 | — | — | |
| SCHEMBL375660 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-105189477-A | Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof | BASF SE | 2015-12-23 | — | — | CN | 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 |
| US-5650098-A | PHOTOCHROMIC LENSES | TRANSITIONS OPTICAL, INC. (US) | 1997-07-22 | — | — | US | disclosed |