⚠ 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 | |
|---|---|---|---|---|
| 2-Chloropyridine SCHEMBL16637 | 1.00 | — | — | |
| 2-Chloropyridine SCHEMBL29402311 | 1.00 | — | — | |
| 2-Chloropyridine SCHEMBL10690176 | 1.00 | TDP1 (1.00) | — | |
| 2-Chloropyridine SCHEMBL28283275 | 1.00 | TDP1 (1.00) | — | |
| 2-Chloropyridine SCHEMBL457535 | 0.97 | — | — | |
| 2-Chloropyridine SCHEMBL1935752 | 0.97 | — | — | |
| 2-Chloropyridine SCHEMBL30961660 | 0.97 | — | — | |
| 2-Chloropyridine SCHEMBL11437985 | 0.97 | — | — | |
| 2-Chloropyridine SCHEMBL21640063 | 0.97 | — | — | |
| 2-Chloropyridine SCHEMBL5751999 | 0.97 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4252957-A | GALLSTONE SOLVENTS | PFIZER INC. (US) | 1981-02-24 | — | — | US | claimed |
| US-20160214996-A1 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | WELL NOVA LIMITED (VG) | 2016-07-28 | — | — | US | disclosed |
| WO-2015050989-A2 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | CS THERAPEUTICS INC. (US) | 2015-04-09 | — | — | WO | disclosed |