⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12505315 | 0.84 | — | — | |
| (Phenylsulfinyl)Benzene SCHEMBL11455732 | 0.81 | TDP1 (0.35) | — | |
| (Phenylsulfinyl)Benzene SCHEMBL28896702 | 0.81 | TDP1 (0.35) | — | |
| SCHEMBL8562561 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL1222022 | 0.79 | — | — | |
| (Phenylsulfinyl)Benzene SCHEMBL43199 | 0.78 | TDP1 (0.37) | — | |
| SCHEMBL974185 | 0.76 | — | — | |
| SCHEMBL27541402 | 0.76 | — | — | |
| SCHEMBL12336893 | 0.75 | TDP1 (0.35) | — | |
| (Phenylsulfinyl)Benzene SCHEMBL11889252 | 0.75 | TDP1 (0.35) | — |
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-1037886-A1 | TRIAZINE ANGIOGENESIS INHIBITORS | Abbott Laboratories (US) | 2000-09-27 | — | — | EP | claimed |
| WO-1999031088-A1 | TRIAZINE ANGIOGENESIS INHIBITORS | ABBOTT LABORATORIES (US) | 1999-06-24 | — | — | WO | claimed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-5192783-A | Fungicides for plants | ROHM AND HAAS COMPANY (US) | 1993-03-09 | — | — | US | disclosed |
| US-4971957-A | ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1990-11-20 | — | — | US | disclosed |