⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7956479 | 0.76 | TDP1 (0.30) | — | |
| SCHEMBL12460965 | 0.74 | IDO1 (0.38) | — | |
| SCHEMBL10475185 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL8090427 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL9656548 | 0.74 | IDO1 (0.38) | — | |
| SCHEMBL23048487 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL5549485 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL1846699 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL1576546 | 0.69 | — | — | |
| SCHEMBL22368630 | 0.69 | ATM (0.31) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2766360-B1 | SOLUBLE GUANYLATE CYCLASE ACTIVATORS | BOEHRINGER INGELHEIM INT (DE) | 2017-07-12 | — | — | EP | disclosed |
| US-9353116-B2 | Methods and compositions for kinase inhibition | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-05-31 | — | — | US | disclosed |
| EP-2694521-B1 | PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2015-11-25 | — | — | EP | disclosed |
| US-9145426-B2 | Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2015-09-29 | — | — | US | disclosed |
| EP-2089384-B1 | 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-08-05 | — | — | EP | disclosed |
| US-8815857-B2 | Soluble guanylate cyclase activators | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-08-26 | — | — | US | disclosed |
| US-20140023667-A1 | PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck, Sharp & Dohme Corp. (US) | 2014-01-23 | — | — | US | disclosed |
| US-20130203729-A1 | SOLUBLE GUANYLATE CYCLASE ACTIVATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-08 | — | — | US | disclosed |
| US-20130137708-A1 | METHODS AND COMPOSITIONS FOR KINASE INHIBITION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-05-30 | — | — | US | disclosed |
| US-8440711-B2 | 2-aryl-2-fluoropropanoic acids and derivatives and pharmaceutical compositions containing them | DOMPE PHA.R.MA S.P.A. (IT) | 2013-05-14 | — | — | US | disclosed |
| EP-2094638-B1 | 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE SPA (IT) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011153553-A2 | METHODS AND COMPOSITIONS FOR KINASE INHIBITION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-12-08 | — | — | WO | disclosed |
| US-7998969-B2 | enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases | ROCHE PALO ALTO LLC (US) | 2011-08-16 | — | — | US | disclosed |
| US-20100076034-A1 | 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE PHA.R.MA S.P.A. (IT) | 2010-03-25 | — | — | US | disclosed |
| US-20080146595-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |
| US-6001981-A | INSECTICIDES AND MITICIDES | DOW AGROSCIENCES LLC (US) | 1999-12-14 | — | — | US | disclosed |
| EP-0837870-A1 | SYNTHETIC MODIFICATION TO SPINOSYN COMPOUNDS | DOWELANCO (US) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997000265-A1 | SYNTHETIC MODIFICATION TO SPINOSYN COMPOUNDS | DOWELANCO (US) | 1997-01-03 | — | — | WO | disclosed |