Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8317203 | 0.97 | — | — | |
| SCHEMBL1231721 | 0.70 | — | — | |
| SCHEMBL112351 | 0.70 | — | — | |
| SCHEMBL600914 | 0.70 | — | — | |
| SCHEMBL2875683 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9353278 | 0.69 | BRD4 (0.40) | — | |
| SCHEMBL17522837 | 0.67 | — | — | |
| SCHEMBL462419 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8664530 | 0.65 | — | — | |
| SCHEMBL6155594 | 0.65 | PIK3CD (0.42) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6995163-B2 | Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it | EISAI CO., LTD. (JP) | 2006-02-07 | — | — | US | disclosed |
| US-6951865-B2 | Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same | EISAI CO., LTD. (JP) | 2005-10-04 | — | — | US | disclosed |
| US-6927221-B2 | Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it | EISAI CO., LTD. (JP) | 2005-08-09 | — | — | US | disclosed |
| EP-1408040-B1 | Tricyclic fused heterocyclic compounds as CRFantagonists | EISAI CO LTD (JP) | 2005-07-27 | — | — | EP | disclosed |
| EP-1238979-B1 | FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME | EISAI CO LTD (JP) | 2005-03-02 | — | — | EP | disclosed |
| US-20050004159-A1 | Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it | EISAI CO., LTD. | 2005-01-06 | — | — | US | disclosed |
| US-20050004147-A1 | Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it | EISAI CO., LTD. | 2005-01-06 | — | — | US | disclosed |
| US-20040116418-A1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB (SE) | 2004-06-17 | — | — | US | disclosed |
| EP-1408040-A1 | Tricyclic fused heterocyclic compounds as CRFantagonists | Eisai Co., Ltd. (JP) | 2004-04-14 | — | — | EP | disclosed |
| US-20030078277-A1 | Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2003-04-24 | — | — | US | disclosed |
| US-20020132794-A1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB | 2002-09-19 | — | — | US | disclosed |
| EP-1238979-A1 | FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2002-09-11 | — | — | EP | disclosed |
| US-6376492-B1 | GUANIDINE DERIVATIVES | MEDIVIR AB (SE) | 2002-04-23 | — | — | US | disclosed |
| US-5849769-A | N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection | MEDIVIR AB (SE) | 1998-12-15 | — | — | US | disclosed |
| EP-0706514-B1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1998-11-18 | — | — | EP | disclosed |
| EP-0706514-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1996-04-17 | — | — | EP | disclosed |
| WO-1995006034-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1995-03-02 | — | — | WO | disclosed |