⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8614496 | 0.85 | — | — | |
| SCHEMBL6835541 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL11064741 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL3085878 | 0.82 | — | — | |
| SCHEMBL15421646 | 0.77 | KMT2A (0.54) | — | |
| SCHEMBL9363497 | 0.76 | — | — | |
| SCHEMBL8949595 | 0.76 | — | — | |
| SCHEMBL9464575 | 0.75 | KDM4E (0.50) | — | |
| SCHEMBL9074783 | 0.75 | KMT2A (0.57) | — | |
| SCHEMBL29009465 | 0.75 | KMT2A (0.57) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4117000-A | PROCESS FOR PREPARING 4-OXOCAPRONITRILE | STAMICARBON, B.V. (NL) | 1978-09-26 | — | — | US | claimed |
| CN-113233948-B | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-113233948-A | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2021-08-10 | — | — | CN | disclosed |
| EP-3041841-B1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-06-05 | — | — | EP | disclosed |
| US-9520565-B2 | Indaceno derivatives as organic semiconductors | MERCK PATENT GMBH (DE) | 2016-12-13 | — | — | US | disclosed |
| CN-103619903-B | As organic semi-conductor indacene derivant | 默克专利股份有限公司 | 2016-12-07 | — | — | CN | disclosed |
| EP-2726532-B1 | INDACENO DERIVATIVES AS ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2016-05-18 | — | — | EP | disclosed |
| US-20140131627-A1 | INDACENO DERIVATIVES AS ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2014-05-15 | — | — | US | disclosed |
| EP-2726532-A1 | INDACENO DERIVATIVES AS ORGANIC SEMICONDUCTORS | Merck Patent GmbH (DE) | 2014-05-07 | — | — | EP | disclosed |
| CN-103619903-A | Indaceno derivatives as organic semiconductors | MERCK PATENT GMBH | 2014-03-05 | — | — | CN | disclosed |
| EP-0649303-B1 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF | CORNELL RES FOUNDATION INC (US) | 1998-11-25 | — | — | EP | disclosed |
| US-5453441-A | Enzyme inhibitors and hypertensive agents | CORNELL RESEARCH FOUNDATION, INC. (US) | 1995-09-26 | — | — | US | disclosed |
| EP-0649303-A4 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF. | CORNELL RES FOUNDATION INC (US) | 1995-07-05 | — | — | EP | disclosed |
| EP-0649303-A1 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF | CORNELL RESEARCH FOUNDATION, INC. (US) | 1995-04-26 | — | — | EP | disclosed |
| US-5281627-A | Guanidine substituted arginines | CORNELL RESEARCH FOUNDATION, INC. (US) | 1994-01-25 | — | — | US | disclosed |
| WO-1993024126-A1 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF | CORNELL RESEARCH FOUNDATION, INC. (US) | 1993-12-09 | — | — | WO | disclosed |
| US-4555537-A | IMIDAZOLINE DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1985-11-26 | — | — | US | disclosed |
| US-4138586-A | NITROALKANECARBOXYLIC ESTER WITH ALKALI HYDROXIDE, OZONIZING | HOFFMANN-LA ROCHE INC. (US) | 1979-02-06 | — | — | US | disclosed |
| US-4117000-A | PROCESS FOR PREPARING 4-OXOCAPRONITRILE | STAMICARBON, B.V. (NL) | 1978-09-26 | — | — | US | disclosed |
| US-4117000-A | PROCESS FOR PREPARING 4-OXOCAPRONITRILE | STAMICARBON, B.V. (NL) | 1978-09-26 | — | — | US | disclosed |