⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14161008 | 0.81 | CA1 (0.30) | — | |
| SCHEMBL3972433 | 0.81 | ALOX5 (0.44) | — | |
| SCHEMBL14300896 | 0.78 | — | — | |
| SCHEMBL5987673 | 0.78 | — | — | |
| SCHEMBL14476264 | 0.78 | — | — | |
| SCHEMBL13809879 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL3970277 | 0.75 | NOS1 (0.32) | — | |
| SCHEMBL13745541 | 0.73 | CA1 (0.50) | — | |
| SCHEMBL5986965 | 0.72 | NOS1 (0.33) | — | |
| SCHEMBL11911635 | 0.72 | CA1 (0.30) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101492354-A | 2-propyl-cyclopropane methanal compound and method of producing the same | SHANGHAI INST TECHNOLOGY (CN) | 2009-07-29 | — | — | CN | claimed |
| CN-105209457-A | Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2015-12-30 | — | — | CN | disclosed |
| US-8658639-B2 | N-substituted-cyclic amino derivative | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2014-02-25 | — | — | US | disclosed |
| US-8658639-B2 | N-substituted-cyclic amino derivative | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2014-02-25 | — | — | US | disclosed |
| US-8389511-B2 | Bicyclic heterocyclic derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2013-03-05 | — | — | US | disclosed |
| CN-101503345-B | 2-(2-ethyl-cyclopropyl) acetaldehyde compound and preparation thereof | SHANGHAI INST TECHNOLOGY | 2012-07-04 | — | — | CN | disclosed |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-20110190278-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO. | 2011-08-04 | — | — | US | disclosed |
| WO-2010150840-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2010-12-29 | — | — | WO | disclosed |
| CN-101492354-A | 2-propyl-cyclopropane methanal compound and method of producing the same | SHANGHAI INST TECHNOLOGY (CN) | 2009-07-29 | — | — | CN | disclosed |