⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15108652 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15103051 | 0.98 | NCF1 (0.39) | — | |
| SCHEMBL16083123 | 0.86 | — | — | |
| SCHEMBL25091520 | 0.86 | — | — | |
| SCHEMBL18155989 | 0.86 | — | — | |
| SCHEMBL1117982 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL5552012 | 0.82 | NCF1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL12539134 | 0.82 | NCF1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL272265 | 0.82 | NCF1 (0.42) | — | |
| SCHEMBL25559057 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4114837-A1 | PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 | Bayer Aktiengesellschaft (DE) | 2023-01-11 | — | — | EP | disclosed |
| WO-2021176049-A1 | PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 | BAYER AKTIENGESELLSCHAFT (DE) | 2021-09-10 | — | — | WO | disclosed |
| WO-2017106291-A1 | CXCR4 RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-06-22 | — | — | WO | disclosed |
| EP-2882733-B1 | SUBSTITUTED AZINES AS PESTICIDES | NOVARTIS TIERGESUNDHEIT AG (CH) | 2017-04-26 | — | — | EP | disclosed |
| WO-2015071417-A1 | New Compounds | NOVARTIS TIERGESUNDHEIT AG (CH) | 2015-05-21 | — | — | WO | disclosed |
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |