⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22845128 | 0.84 | — | — | |
| SCHEMBL17333587 | 0.83 | — | — | |
| SCHEMBL3740625 | 0.78 | — | — | |
| SCHEMBL4106944 | 0.67 | — | — | |
| Trichlormethine SCHEMBL8224 | 0.67 | LMNA (0.91) | — | |
| Trichlormethine SCHEMBL338967 | 0.64 | LMNA (1.00) | — | |
| Trichlormethine SCHEMBL1820371 | 0.64 | LMNA (0.83) | — | |
| Mechlorethamine SCHEMBL3861 | 0.61 | — | — | |
| SCHEMBL4029456 | 0.61 | — | — | |
| SCHEMBL21430181 | 0.61 | — | — |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4754080-A | Chemical composition and use thereof | BRITISH PETROLEUM COMPANY P.L.C. (GB) | 1988-06-28 | — | — | US | claimed |
| EP-2501231-B1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2016-12-21 | — | — | EP | disclosed |
| US-20140303372-A1 | SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS | ABBVIE BHAMAS LTD. (BS) | 2014-10-09 | — | — | US | disclosed |
| US-8846655-B2 | 4-substituted-2-phenoxy-phenylamine delta opioid receptor modulators | JANSSEN PHARMACEUTICA, NV (BE) | 2014-09-30 | — | — | US | disclosed |
| US-8754220-B2 | Quinolizidinone carboxamide M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-06-17 | — | — | US | disclosed |
| US-8324216-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20120302541-A1 | 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-11-29 | — | — | US | disclosed |
| WO-2012130911-A1 | BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES | ATLANTHERA (FR) | 2012-10-04 | — | — | WO | disclosed |
| US-20120232076-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2012-09-13 | — | — | US | disclosed |
| US-20110269759-A1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, NV (BE) | 2011-11-03 | — | — | US | disclosed |
| US-7238696-B2 | Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands | WYETH (US) | 2007-07-03 | — | — | US | disclosed |
| US-7238696-B2 | Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands | WYETH (US) | 2007-07-03 | — | — | US | disclosed |
| US-20070088036-A1 | Piperidine derivatives and methods of use | CHEMOCENTRYX, INC. (US) | 2007-04-19 | — | — | US | disclosed |
| US-20070078152-A1 | Piperidine derivatives | AMGEN INC. | 2007-04-05 | — | — | US | disclosed |
| US-7183319-B2 | Phenylethylamine derivatives and their use in the treatment of melanoma | RILEY PATRICK ANTHONY | 2007-02-27 | — | — | US | disclosed |
| US-20040167122-A1 | Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands | WYETH | 2004-08-26 | — | — | US | disclosed |
| US-20040029967-A1 | Phenylethylamine derivatives and their use in the treatment of melanoma | RILEY PATRICK ANTHONY (GB) | 2004-02-12 | — | — | US | disclosed |
| EP-1303481-A1 | PHENYLETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MELANOMA | Riley, Patrick Anthony (GB) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002008174-A1 | PHENYLETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MELANOMA | RILEY PATRICK ANTHONY (GB) | 2002-01-31 | — | — | WO | disclosed |
| US-4754080-A | Chemical composition and use thereof | BRITISH PETROLEUM COMPANY P.L.C. (GB) | 1988-06-28 | — | — | US | disclosed |