⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11848996 | 0.97 | — | — | |
| SCHEMBL367820 | 0.81 | NAAA (0.38) | — | |
| SCHEMBL12987343 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL1104791 | 0.79 | — | — | |
| SCHEMBL4453141 | 0.79 | — | — | |
| SCHEMBL10708220 | 0.78 | LMNA (0.41) | — | |
| SCHEMBL113863 | 0.77 | — | — | |
| SCHEMBL3290640 | 0.77 | — | — | |
| SCHEMBL7883907 | 0.77 | — | — | |
| SCHEMBL11981899 | 0.75 | RNPEP (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2693876-A1 | SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS | Sphaera Pharma Pte. Ltd (SG) | 2014-02-12 | — | — | EP | disclosed |
| WO-2012137225-A1 | SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS | SPHAERA PHARMA PVT. LTD (IN) | 2012-10-11 | — | — | WO | disclosed |
| US-7629494-B2 | Process for producing cyclopropylphenol derivative | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20090054681-A1 | Production Process of cyclopropylphenol derivatives | SANKYO AGRO COMPANY, LIMITED (JP) | 2009-02-26 | — | — | US | disclosed |
| EP-1880987-A1 | PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE | Sankyo Agro Company, Limited (JP) | 2008-01-23 | — | — | EP | disclosed |
| US-4914206-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-03 | — | — | US | disclosed |
| EP-0226896-A2 | Lankacidin derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1987-07-01 | — | — | EP | disclosed |
| US-3989710-A | POSTEMERGENCE HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-02 | — | — | US | disclosed |