⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8153060 | 0.85 | TDP1 (0.32) | — | |
| Dimethyl Sulfoxide SCHEMBL3047831 | 0.79 | TDP1 (0.67) | — | |
| SCHEMBL6728345 | 0.77 | — | — | |
| SCHEMBL17038981 | 0.76 | — | — | |
| SCHEMBL17038982 | 0.72 | TDP1 (0.41) | — | |
| SCHEMBL11640824 | 0.72 | CA2 (0.42) | — | |
| SCHEMBL9640216 | 0.71 | — | — | |
| SCHEMBL20931262 | 0.71 | GAA (0.54) | — | |
| SCHEMBL2177849 | 0.71 | — | — | |
| SCHEMBL4442753 | 0.71 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150239919-A1 | Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2015-08-27 | — | — | US | disclosed |
| US-20120129854-A1 | Pesticidal Arylpyrrolidines | BAYER CROPSCIENCE AG (DE) | 2012-05-24 | — | — | US | disclosed |
| US-20100216792-A1 | Pesticidal arylpyrrolidines | BAYER CROPSCIENCE AG (DE) | 2010-08-26 | — | — | US | disclosed |
| US-4077983-A | PROGESTATIONAL ACTIVITY | HOFFMANN-LA ROCHE, INC. (US) | 1978-03-07 | — | — | US | disclosed |
| US-4061679-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4059612-A | Substituted indanones | HOFFMANN-LA ROCHE, INC. (US) | 1977-11-22 | — | — | US | disclosed |
| US-4053486-A | STEREOSPECIFIC TOTAL STEROIDAL SYNTHESIS VIA SUBSTITUTED C/D-TRANS INDANONES | HOFFMANN-LA ROCHE INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4052413-A | STEREOSPECIFIC TOTAL STEROIDAL SYNTHESIS VIA SUBSTITUTED C/D-TRANS INDANONES | HOFFMANN-LA ROCHE, INC. (US) | 1977-10-04 | — | — | US | disclosed |
| US-4049677-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMAN-LA ROCHE INC. (US) | 1977-09-20 | — | — | US | disclosed |
| US-4048195-A | Process of synthesizing substituted indanones | HOFFMANN-LA ROCHE INC. (US) | 1977-09-13 | — | — | US | disclosed |
| US-3985733-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1976-10-12 | — | — | US | disclosed |
| US-3984473-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1976-10-05 | — | — | US | disclosed |
| US-3965117-A | Stereospecific total steroidal synthesis via substituted c/d-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1976-06-22 | — | — | US | disclosed |
| US-3950389-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1976-04-13 | — | — | US | disclosed |