⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9359592 | 0.97 | MEN1 (0.67) | — | |
| SCHEMBL15193 | 0.97 | — | — | |
| SCHEMBL29371456 | 0.97 | — | — | |
| SCHEMBL11734134 | 0.95 | — | — | |
| Iodide SCHEMBL10987591 | 0.95 | MEN1 (0.64) | — | |
| Iodide SCHEMBL1274592 | 0.95 | — | — | |
| Iodide SCHEMBL10987579 | 0.95 | MEN1 (0.64) | — | |
| Phosphine SCHEMBL3755463 | 0.95 | — | — | |
| SCHEMBL5473921 | 0.95 | — | — | |
| SCHEMBL17201491 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0927717-B1 | PROCESS FOR PRODUCING HYDROPEROXIDES | MITSUI CHEMICALS INC (JP) | 2002-09-18 | — | — | EP | disclosed |
| 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 |