Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| SCHEMBL28299873 | 0.90 | — | — | |
| SCHEMBL18513472 | 0.78 | — | — | |
| SCHEMBL531906 | 0.75 | — | — | |
| SCHEMBL5693118 | 0.74 | CA2 (0.33) | — | |
| SCHEMBL28298534 | 0.73 | — | — | |
| Water SCHEMBL27527439 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27880977 | 0.73 | — | — | |
| SCHEMBL3537101 | 0.71 | — | — | |
| SCHEMBL19745683 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3963500 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109862890-A | Purifying CENICRIVIROC and the purifying intermediate for being used to prepare CENICRIVIROC | 妥必徕疗治公司 | 2019-06-07 | — | — | CN | claimed |
| CN-109862890-A | Purifying CENICRIVIROC and the purifying intermediate for being used to prepare CENICRIVIROC | 妥必徕疗治公司 | 2019-06-07 | — | — | CN | disclosed |