⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28903529 | 0.83 | TSHR (0.64) | — | |
| Pyridine SCHEMBL28413811 | 0.83 | — | — | |
| Pyridine SCHEMBL93456 | 0.83 | TSHR (0.64) | — | |
| Pyridine SCHEMBL795704 | 0.82 | TSHR (0.90) | — | |
| Pyridine SCHEMBL11774587 | 0.82 | — | — | |
| Pyridine SCHEMBL25407448 | 0.82 | TSHR (0.90) | — | |
| Pyridine SCHEMBL6361639 | 0.82 | — | — | |
| Pyridine SCHEMBL4220038 | 0.80 | — | — | |
| Pyridine SCHEMBL10649475 | 0.80 | — | — | |
| Pyridine SCHEMBL6743426 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6239206-B1 | BASED ON A POLYMER WHICH CONTAINS COPOLYMERIZED 50-99.5% BY WEIGHT OF AT LEAST ONE BASIC HETEROCYCLE HAVING A PKA OF AT LEAST 3.8; ESPECIALLY FOR REMOVING SULFUR COMPOUNDS FROM WINE OR WINE-LIKE BEVERAGES. | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-29 | — | — | US | disclosed |
| US-5149849-A | Process for the preparation of quinhydrones | EASTMAN CHEMICAL COMPANY | 1992-09-22 | — | — | US | disclosed |
| US-5075462-A | Process for the preparation of quinones | EASTMAN KODAK COMPANY (US) | 1991-12-24 | — | — | US | disclosed |
| US-4451582-A | Preparation of insoluble, only slightly swellable polymers of basic vinyl-heterocyclic compounds | BASF AKTIENGESELLSCHAFT (DE) | 1984-05-29 | — | — | US | disclosed |