SCHEMBL584204

SCHEMBL584204

CC(Br)CCOCCC(C)Br

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16166032 0.87 CA2 (0.32)
SCHEMBL9120990 0.85
SCHEMBL9120508 0.83
SCHEMBL3603505 0.78
SCHEMBL9119380 0.75
SCHEMBL11817947 0.75
SCHEMBL421767 0.73
SCHEMBL8813215 0.73 TSHR (0.46)
SCHEMBL811651 0.72
SCHEMBL42956 0.72 ALDH1A1 (0.48)

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109354706-B Application of multifunctional polyurethane prepolymer in surface modification of medical catheter 淮海工学院 2021-03-26 CN claimed
EP-4736988-A1 ACIDIC GAS-ABSORBING LIQUID AND ACIDIC GAS REDUCTION METHOD AGC INC. (JP) 2026-05-06 EP disclosed
EP-4736989-A1 ACIDIC GAS-ABSORBING LIQUID AND ACIDIC GAS REDUCTION METHOD AGC INC. (JP) 2026-05-06 EP disclosed
US-20260115649-A1 ACIDIC GAS-ABSORBING LIQUID AND ACIDIC GAS REDUCTION METHOD AGC Inc. (JP) 2026-04-30 US disclosed
US-20260115646-A1 ACIDIC GAS-ABSORBING LIQUID AND ACIDIC GAS REDUCTION METHOD AGC Inc. (JP) 2026-04-30 US disclosed
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
EP-2417140-B1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
US-8716493-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2014-05-06 US disclosed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
EP-2626360-A1 Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators Glenmark Pharmaceuticals S.A. (CH) 2013-08-14 EP disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed
US-5583227-A INHIBIT SECRETION OF GASTRIC ACID MOCHIDA PHARMACEUTICAL CO. LTD. (JP) 1996-12-10 US disclosed
EP-0685468-A1 Pyrazine and quinoxaline derivatives and their use as anti-ulcer agents Mochida Pharmaceutical Co., Ltd. (JP) 1995-12-06 EP disclosed
US-5240923-A Treating glaucoma ALCON LABORATORIES, INC. (US) 1993-08-31 US disclosed
EP-0207605-B1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1990-02-07 EP disclosed
US-4703052-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-10-27 US disclosed
EP-0207605-A1 Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-01-07 EP disclosed
WO-1986007056-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1986-12-04 WO disclosed