⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3204338 | 0.82 | TDP1 (0.44) | — | |
| SCHEMBL8611277 | 0.82 | TDP1 (0.41) | — | |
| Malonic Acid Diethyl Ester SCHEMBL4587432 | 0.80 | GAA (0.65) | — | |
| SCHEMBL7774754 | 0.79 | TSHR (0.55) | — | |
| SCHEMBL7401265 | 0.79 | — | — | |
| SCHEMBL1100419 | 0.79 | — | — | |
| SCHEMBL27883132 | 0.78 | GAA (0.44) | — | |
| SCHEMBL5464415 | 0.78 | CYP1A2 (0.45) | — | |
| SCHEMBL20261858 | 0.77 | ALDH1A1 (0.42) | — | |
| Acrylic Acid SCHEMBL28214967 | 0.77 | GAA (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-RE41149-E1 | Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-02-23 | — | — | US | disclosed |
| US-7459414-B2 | Herbicides | SYNGENTA CROP PROTECTION, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| EP-0711813-B1 | Antifouling coating composition | HITACHI CHEMICAL CO LTD (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5773508-A | BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1998-06-30 | — | — | US | disclosed |
| US-5520834-A | VINYL ETHERS | BASF AKTIENGESELLSCHAFT (DE) | 1996-05-28 | — | — | US | disclosed |
| EP-0711813-A2 | Coating varnish composition and antifouling coating composition | Hitachi Chemical Co., Ltd. (JP) | 1996-05-15 | — | — | EP | disclosed |